Vitas-M small molecule compound
methyl 3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}thiophene-2-carboxylate
Catalog ID
STL178373
SMILES COC(=O)c1sccc1NC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C16H13NO5S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5S/c1-20-16(19)15-11(6-7-23-15)17-14(18)5-3-10-2-4-12-13(8-10)22-9-21-12/h2-8H,9H2,1H3,(H,17,18)/b5-3+InChIKey
NJRVMKSHEFXPFK-HWKANZROSA-NSynonyms
544460-57-3544460573
COC(=O)C1=C(C=CS1)NC(=O)C=CC2=CC3=C(C=C2)OCO3
COC(=O)c1sccc1NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC16H13NO5Sc12016(19)1511(672315)1714(18)5310241213(810)2292112h28H9H21H3(H1718)b53+
methyl3(((2E)3(13benzodioxol5yl)prop2enoyl)amino)thiophene2carboxylate
METHYL3(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)THIOPHENE2CARBOXYLATE
METHYL3((3(13BENZODIOXOL5YL)ACRYLOYL)AMINO)2THIOPHENECARBOXYLATE
MFCD02242986
ZINC000000375461
ZINC00375461
ZINC375461
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