Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK438063
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1CC)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 C19H19NO5S MW 373.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5S/c1-4-13-11(2)26-18(17(13)19(22)23-3)20-16(21)8-6-12-5-7-14-15(9-12)25-10-24-14/h5-9H,4,10H2,1-3H3,(H,20,21)/b8-6+InChIKey
QAFJARODPBUCEO-SOFGYWHQSA-NSynonyms
CCC1=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(c1CC)C
InChI=1SC19H19NO5Sc141311(2)2618(17(13)19(22)233)2016(21)8612571415(912)25102414h59H410H213H3(H2021)b86+
methyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
METHYL2((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)4ETHYL5METHYL3THIOPHENECARBOXYLATE
MFCD03380397
ZINC000000656134
ZINC00656134
ZINC656134
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