Vitas-M small molecule compound
(2E)-4-{[4-(3,4-dimethylphenyl)-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK447119
SMILES COC(=O)c1c(scc1c1ccc(c(c1)C)C)NC(=O)/C=C/C(=O)O
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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 C18H17NO5S MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5S/c1-10-4-5-12(8-11(10)2)13-9-25-17(16(13)18(23)24-3)19-14(20)6-7-15(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)/b7-6+InChIKey
SXTSYGIZJYNNSO-VOTSOKGWSA-NSynonyms
(2E)3(N(4(34DIMETHYLPHENYL)3(METHOXYCARBONYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((4(34dimethylphenyl)3(methoxycarbonyl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((4(34DIMETHYLPHENYL)3METHOXYCARBONYLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC(=O)O)C
COC(=O)c1c(scc1c1ccc(c(c1)C)C)NC(=O)C=CC(=O)O
InChI=1SC18H17NO5Sc1104512(811(10)2)1392517(16(13)18(23)243)1914(20)6715(21)22h49H13H3(H1920)(H2122)b76+
MFCD02177099
ZINC000002818805
ZINC2818805
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