Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK949072
SMILES N#C/C(=C\c1ccccc1OC)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2
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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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-26-15-8-4-2-6-12(15)10-13(11-21)19(25)23-20-17(18(22)24)14-7-3-5-9-16(14)27-20/h2,4,6,8,10H,3,5,7,9H2,1H3,(H2,22,24)(H,23,25)/b13-10+InChIKey
BFFHIZDRDQOMQQ-JLHYYAGUSA-NSynonyms
2(((2E)2cyano3(2methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(2methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
COC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI=1SC20H19N3O3Sc12615842612(15)1013(1121)19(25)232017(18(22)24)14735916(14)2720h246810H3579H21H3(H22224)(H2325)b1310+
MFCD02351439
N#CC(=Cc1ccccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000001452894
ZINC01452894
ZINC1452894
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