Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK432420
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)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 C18H17NO5S MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5S/c1-10-11(2)25-17(16(10)18(21)22-3)19-15(20)7-5-12-4-6-13-14(8-12)24-9-23-13/h4-8H,9H2,1-3H3,(H,19,20)/b7-5+InChIKey
JXBPFTWVGAFQOF-FNORWQNLSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C
COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc(c1C)C
InChI=1SC18H17NO5Sc11011(2)2517(16(10)18(21)223)1915(20)7512461314(812)2492313h48H9H213H3(H1920)b75+
methyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)45DIMETHYL3THIOPHENECARBOXYLATE
MFCD01920305
ZINC000000668511
ZINC00668511
ZINC668511
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