Vitas-M small molecule compound
methyl 2-{[(6-ethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK913255
SMILES CCc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-3-12-8-9-16-14(10-12)15(24)11-17(28-16)20(25)23-21-19(22(26)27-2)13-6-4-5-7-18(13)29-21/h8-11H,3-7H2,1-2H3,(H,23,25)InChIKey
ISKOOZCMDUDYPW-UHFFFAOYSA-NSynonyms
CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC
InChI=1SC22H21NO5Sc1312891614(1012)15(24)1117(2816)20(25)232119(22(26)272)13645718(13)2921h811H37H212H3(H2325)
methyl2(((6ethyl4oxo4Hchromen2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((6ethyl4oxochromene2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD07428210
ZINC000008917644
ZINC08917644
ZINC8917644
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