Vitas-M small molecule compound

2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(morpholin-4-yl)propyl]acetamide

Catalog ID
STK534403
SMILES O=C(CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCCCN1CCOCC1

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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 C32H34N6O4S MW 598.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N6O4S/c39-28(33-15-7-16-36-18-20-42-21-19-36)22-43-32-35-34-27(38(32)24-10-2-1-3-11-24)14-6-17-37-30(40)25-12-4-8-23-9-5-13-26(29(23)25)31(37)41/h1-5,8-13H,6-7,14-22H2,(H,33,39)
InChIKey
PUQIYISPSMAAES-UHFFFAOYSA-N
Synonyms
315239-07-7
2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)N(3(morpholin4yl)propyl)acetamide
2((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)N(3(4MORPHOLINYL)PROPYL)ACETAMIDE
2((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)N(3MORPHOLINOPROPYL)ACETAMIDE
2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(3MORPHOLIN4YLPROPYL)ACETAMIDE
315239077
C1COCCN1CCCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC32H34N6O4Sc3928(331571636182042211936)224332353427(38(32)24102131124)146173730(40)25124823951326(29(23)25)31(37)41h15813H671422H2(H3339)
MFCD02162624
ZINC000038154859
ZINC38154859

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Available files

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