Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}quinoline-4-carboxamide
Catalog ID
STK428893
SMILES CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2)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 C33H27N3O3S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O3S/c1-4-19(2)21-9-11-22(12-10-21)31-20(3)40-33(26(31)17-34)36-32(37)25-16-28(35-27-8-6-5-7-24(25)27)23-13-14-29-30(15-23)39-18-38-29/h5-16,19H,4,18H2,1-3H3,(H,36,37)InChIKey
AFWGHXONEJMLQT-UHFFFAOYSA-NSynonyms
(2(2HBENZO(34D)13DIOXOLEN5YL)(4QUINOLYL))N(3CYANO5METHYL4(4(METHYLPROPYL)PHENYL)(2THIENYL))CARBOXAMIDE
2(13benzodioxol5yl)N(4(4(butan2yl)phenyl)3cyano5methylthiophen2yl)quinoline4carboxamide
2(13BENZODIOXOL5YL)N(4(4BUTAN2YLPHENYL)3CYANO5METHYLTHIOPHEN2YL)QUINOLINE4CARBOXAMIDE
CCC(C)C1=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=1SC33H27N3O3Sc1419(2)2191122(121021)3120(3)4033(26(31)1734)3632(37)251628(3527865724(25)27)2313142930(1523)39183829h51619H418H213H3(H3637)
MFCD03233925
ZINC000002773310
ZINC000002773311
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