Vitas-M small molecule compound
methyl 2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK428442
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC(C2)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 C18H19NO4S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO4S/c1-11-5-7-13-14(10-11)24-17(16(13)18(21)22-2)19-15(20)8-6-12-4-3-9-23-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,19,20)/b8-6+InChIKey
AZCQXZSAIAFNNL-SOFGYWHQSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=CO3
COC(=O)c1c(NC(=O)C=Cc2ccco2)sc2c1CCC(C2)C
InChI=1SC18H19NO4Sc111571314(1011)2417(16(13)18(21)222)1915(20)86124392312h3468911H5710H212H3(H1920)b86+
methyl2(((2E)3(furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
MFCD01355604
ZINC000000442556
ZINC000000442557
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