Vitas-M small molecule compound
2-{2-[5-({2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL442385
SMILES OCCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CCn1c(=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/c38-20-6-14-34-16-18-35(19-17-34)27(39)21-42-31-33-32-26(37(31)23-9-2-1-3-10-23)13-15-36-29(40)24-11-4-7-22-8-5-12-25(28(22)24)30(36)41/h1-5,7-12,38H,6,13-21H2InChIKey
UZZXWBOPQPSZCC-UHFFFAOYSA-NSynonyms
2(2(5((2(4(3hydroxypropyl)piperazin1yl)2oxoethyl)sulfanyl)4phenyl4H124triazol3yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(5(2(4(3hydroxypropyl)piperazin1yl)2oxoethyl)sulfanyl4phenyl124triazol3yl)ethyl)benzo(de)isoquinoline13dione
C1CN(CCN1CCCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H32N6O4Sc382061434161835(191734)27(39)214231333226(37(31)2392131023)13153629(40)24114722851225(28(22)24)30(36)41h1571238H61321H2
MFCD19442643
ZINC000101376787
ZINC101376787
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