Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK610058
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(s2)C)/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 C22H24N2O3S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3S2/c1-3-4-11-27-22(26)19-17-7-5-6-8-18(17)29-21(19)24-20(25)15(13-23)12-16-10-9-14(2)28-16/h9-10,12H,3-8,11H2,1-2H3,(H,24,25)/b15-12+InChIKey
LDMYQZAPDUTWIN-NTCAYCPXSA-NSynonyms
489401-95-8(E)butyl2(2cyano3(5methylthiophen2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
489401958
butyl2(((2E)2cyano3(5methylthiophen2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5methylthiophen2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(S3)C)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(s2)C)C#N)sc2c1CCCC2
InChI=1SC22H24N2O3S2c134112722(26)1917756818(17)2921(19)2420(25)15(1323)121610914(2)2816h91012H3811H212H3(H2425)b1512+
MFCD03295949
ZINC000008767955
ZINC08767955
ZINC8767955
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