Vitas-M small molecule compound

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

Catalog ID
STL444006
SMILES O=C(CSc1nnc(n1c1ccccc1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCc1cccnc1

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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 C30H24N6O3S MW 548.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N6O3S/c37-26(32-18-20-7-6-15-31-17-20)19-40-30-34-33-25(36(30)22-10-2-1-3-11-22)14-16-35-28(38)23-12-4-8-21-9-5-13-24(27(21)23)29(35)39/h1-13,15,17H,14,16,18-19H2,(H,32,37)
InChIKey
FWBHKXKHAFWVPF-UHFFFAOYSA-N
Synonyms
315239-21-5
2((5(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N(3PYRIDINYLMETHYL)ACETAMIDE
2((5(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)4phenyl4H124triazol3yl)sulfanyl)N(pyridin3ylmethyl)acetamide
2((5(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)4PHENYL4H124TRIAZOL3YL)THIO)N(PYRIDIN3YLMETHYL)ACETAMIDE
2((5(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(PYRIDIN3YLMETHYL)ACETAMIDE
315239215
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC30H24N6O3Sc3726(3218207615311720)194030343325(36(30)22102131122)14163528(38)23124821951324(27(21)23)29(35)39h1131517H14161819H2(H3237)
MFCD02249834
ZINC000008432316
ZINC08432316
ZINC8432316

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Available files

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