Vitas-M small molecule compound
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylphenyl)quinoline-4-carboxamide
Catalog ID
STK418190
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C)(C)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 C31H31N3OS MW 493.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3OS/c1-5-31(3,4)21-14-15-23-25(18-32)30(36-28(23)16-21)34-29(35)24-17-27(20-12-10-19(2)11-13-20)33-26-9-7-6-8-22(24)26/h6-13,17,21H,5,14-16H2,1-4H3,(H,34,35)InChIKey
QCSMAWURDAACJA-UHFFFAOYSA-NSynonyms
352691-15-7352691157
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C
InChI=1SC31H31N3OSc1531(34)2114152325(1832)30(3628(23)1621)3429(35)241727(20121019(2)111320)3326976822(24)26h6131721H51416H214H3(H3435)
MFCD01358422
N(3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)2(4methylphenyl)quinoline4carboxamide
ZINC000002084309
ZINC000002084310
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