Vitas-M small molecule compound
ethyl 2-{[(2Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL022364
SMILES CCOC(=O)c1c(NC(=O)/C(=C\c2ccc(cc2)OC)/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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-3-28-22(26)19-17-6-4-5-7-18(17)29-21(19)24-20(25)15(13-23)12-14-8-10-16(27-2)11-9-14/h8-12H,3-7H2,1-2H3,(H,24,25)/b15-12-InChIKey
HLJIKGKRAQEVOL-QINSGFPZSA-NSynonyms
325742-02-7325742027
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)OC)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(cc2)OC)C#N)sc2c1CCCC2
ethyl2(((2Z)2cyano3(4methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)2cyano3(4methoxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H22N2O4Sc132822(26)1917645718(17)2921(19)2420(25)15(1323)121481016(272)11914h812H37H212H3(H2425)b1512
MFCD02697257
ZINC000005592839
ZINC05592839
ZINC5592839
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