Vitas-M small molecule compound

2-(1,3-benzodioxol-5-yl)-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)quinoline-4-carboxamide

Catalog ID
STK331680
SMILES N#Cc1c(NC(=O)c2cc(nc3c2cccc3)c2ccc3c(c2)OCO3)sc(c1c1ccccc1)C

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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 C29H19N3O3S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19N3O3S/c1-17-27(18-7-3-2-4-8-18)22(15-30)29(36-17)32-28(33)21-14-24(31-23-10-6-5-9-20(21)23)19-11-12-25-26(13-19)35-16-34-25/h2-14H,16H2,1H3,(H,32,33)
InChIKey
OVZXMMYENRKUAQ-UHFFFAOYSA-N
Synonyms

(2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))N(3CYANO5METHYL4PHENYL(2THIENYL))CARBOXAMIDE
2(13BENZODIOXOL5YL)N(3CYANO5METHYL4PHENYL2THIENYL)4QUINOLINECARBOXAMIDE
2(13benzodioxol5yl)N(3cyano5methyl4phenylthiophen2yl)quinoline4carboxamide
CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=CC=CC=C6
InChI=1SC29H19N3O3Sc11727(187324818)22(1530)29(3617)3228(33)211424(31231065920(21)23)1911122526(1319)35163425h214H16H21H3(H3233)
MFCD03233922
ZINC000002108048
ZINC02108048
ZINC2108048

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Available files

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