Vitas-M small molecule compound
methyl 5-(dimethylcarbamoyl)-4-methyl-2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK439315
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc(o2)C)sc(c1C)C(=O)N(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 C18H20N2O5S MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5S/c1-10-6-7-12(25-10)8-9-13(21)19-16-14(18(23)24-5)11(2)15(26-16)17(22)20(3)4/h6-9H,1-5H3,(H,19,21)/b9-8+InChIKey
XEKHLBJPUZJAKD-CMDGGOBGSA-NSynonyms
CC1=CC=C(O1)C=CC(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2ccc(o2)C)sc(c1C)C(=O)N(C)C
InChI=1SC18H20N2O5Sc1106712(2510)8913(21)191614(18(23)245)11(2)15(2616)17(22)20(3)4h69H15H3(H1921)b98+
METHYL2((2E)3(5METHYL(2FURYL))PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
methyl5(dimethylcarbamoyl)4methyl2(((2E)3(5methylfuran2yl)prop2enoyl)amino)thiophene3carboxylate
METHYL5(DIMETHYLCARBAMOYL)4METHYL2(((E)3(5METHYLFURAN2YL)PROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03393722
ZINC000001112734
ZINC01112734
ZINC1112734
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