Vitas-M small molecule compound

ethyl 2-({(2E)-2-cyano-3-[3-methoxy-4-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK949532
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(c(c2)OC)OC(C)C)/C#N)sc(c1C)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 C23H26N2O5S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5S/c1-7-29-23(27)20-14(4)15(5)31-22(20)25-21(26)17(12-24)10-16-8-9-18(30-13(2)3)19(11-16)28-6/h8-11,13H,7H2,1-6H3,(H,25,26)/b17-10+
InChIKey
YKJIWHOUISPYJW-LICLKQGHSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C=C2)OC(C)C)OC)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(c(c2)OC)OC(C)C)C#N)sc(c1C)C
ethyl2(((2E)2cyano3(3methoxy4(propan2yloxy)phenyl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)2CYANO3(3METHOXY4PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(3METHOXY4(METHYLETHOXY)PHENYL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H26N2O5Sc172923(27)2014(4)15(5)3122(20)2521(26)17(1224)10168918(3013(2)3)19(1116)286h81113H7H216H3(H2526)b1710+
MFCD02957043
ZINC000001453431
ZINC01453431
ZINC1453431

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Available files

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