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2-{3-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK788483
SMILES OCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H32N6O4S MW 584.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N6O4S/c38-20-19-34-15-17-35(18-16-34)27(39)21-42-31-33-32-26(37(31)23-9-2-1-3-10-23)13-6-14-36-29(40)24-11-4-7-22-8-5-12-25(28(22)24)30(36)41/h1-5,7-12,38H,6,13-21H2
InChIKey
JJAYFZJFTVCLAQ-UHFFFAOYSA-N
Synonyms
6067-36-3
2(3(5((2(4(2HYDROXYETHYL)1PIPERAZINYL)2OXOETHYL)THIO)4PHENYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
2(3(5((2(4(2HYDROXYETHYL)1PIPERAZINYL)2OXOETHYL)THIO)4PHENYL4H124TRIAZOL3YL)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3(5((2(4(2hydroxyethyl)piperazin1yl)2oxoethyl)sulfanyl)4phenyl4H124triazol3yl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3(5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)2OXOETHYL)THIO)4PHENYL4H124TRIAZOL3YL)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3(5((2(4(2HYDROXYETHYL)PIPERAZINO)2KETOETHYL)THIO)4PHENYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13QUINONE
2(3(5(2(4(2HYDROXYETHYL)PIPERAZIN1YL)2OXIDANYLIDENEETHYL)SULFANYL4PHENYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
2(3(5(2(4(2HYDROXYETHYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
6067363
C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H32N6O4Sc38201934151735(181634)27(39)214231333226(37(31)2392131023)136143629(40)24114722851225(28(22)24)30(36)41h1571238H61321H2
MFCD02163574
ZINC000038154860
ZINC38154860

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Available files

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