Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]quinoline-4-carboxamide
Catalog ID
STK428769
SMILES N#Cc1c(sc(c1c1ccc(cc1)C)C)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
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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 C30H21N3O3S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21N3O3S/c1-17-7-9-19(10-8-17)28-18(2)37-30(23(28)15-31)33-29(34)22-14-25(32-24-6-4-3-5-21(22)24)20-11-12-26-27(13-20)36-16-35-26/h3-14H,16H2,1-2H3,(H,33,34)InChIKey
ZDGGAKAFCXIHKG-UHFFFAOYSA-NSynonyms
(2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))N(3CYANO5METHYL4(4METHYLPHENYL)(2THIENYL))CARBOXAMIDE
2(13benzodioxol5yl)N(3cyano5methyl4(4methylphenyl)thiophen2yl)quinoline4carboxamide
CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)C
InChI=1SC30H21N3O3Sc1177919(10817)2818(2)3730(23(28)1531)3329(34)221425(3224643521(22)24)2011122627(1320)36163526h314H16H212H3(H3334)
MFCD03233307
ZINC000002789376
ZINC02789376
ZINC2789376
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