Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021041
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2c[nH]c3c2cccc3)/C#N)sc2c1CCCC2
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-2-3-12-31-25(30)22-19-9-5-7-11-21(19)32-24(22)28-23(29)16(14-26)13-17-15-27-20-10-6-4-8-18(17)20/h4,6,8,10,13,15,27H,2-3,5,7,9,11-12H2,1H3,(H,28,29)/b16-13+InChIKey
YSSVCRDHVUUWOB-DTQAZKPQSA-NSynonyms
488132-24-7(E)butyl2(2cyano3(1Hindol3yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488132247
butyl2(((2E)2cyano3(1Hindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(1Hindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CNC4=CC=CC=C43)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2c(nH)c3c2cccc3)C#N)sc2c1CCCC2
InChI=1SC25H25N3O3Sc123123125(30)22199571121(19)3224(22)2823(29)16(1426)13171527201064818(17)20h46810131527H235791112H21H3(H2829)b1613+
MFCD03289926
ZINC000002331723
ZINC02331723
ZINC2331723
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