Vitas-M small molecule compound
(2E)-4-({3-(methoxycarbonyl)-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK400577
SMILES COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)C(C)C)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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-11(2)13-5-7-14(8-6-13)17-12(3)27-19(18(17)20(25)26-4)21-15(22)9-10-16(23)24/h5-11H,1-4H3,(H,21,22)(H,23,24)/b10-9+InChIKey
KNWCZRXQURNYDN-MDZDMXLPSA-NSynonyms
444908-57-0(2E)4((3(methoxycarbonyl)5methyl4(4(propan2yl)phenyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3METHOXYCARBONYL5METHYL4(4PROPAN2YLPHENYL)THIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
4((4(4ISOPROPYLPHENYL)3(METHOXYCARBONYL)5METHYL2THIENYL)AMINO)4OXO2BUTENOICACID
444908570
CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C(=O)OC)C2=CC=C(C=C2)C(C)C
COC(=O)c1c(NC(=O)C=CC(=O)O)sc(c1c1ccc(cc1)C(C)C)C
InChI=1SC20H21NO5Sc111(2)135714(8613)1712(3)2719(18(17)20(25)264)2115(22)91016(23)24h511H14H3(H2122)(H2324)b109+
MFCD02176052
ZINC000002758473
ZINC2758473
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