Vitas-M small molecule compound
methyl 6-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK334525
SMILES COC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-11-7-8-13-16(9-11)28-19(17(13)21(25)26-2)22-18(23)14-10-12-5-3-4-6-15(12)27-20(14)24/h3-6,10-11H,7-9H2,1-2H3,(H,22,23)InChIKey
ACWHZTPZJXYJDM-UHFFFAOYSA-NSynonyms
302576-87-0302576870
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4OC3=O
InChI=1SC21H19NO5Sc111781316(911)2819(17(13)21(25)262)2218(23)141012534615(12)2720(14)24h361011H79H212H3(H2223)
methyl6methyl2(((2oxo2Hchromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((2oxochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2(2oxo2Hchromene3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01244318
ZINC000000687080
ZINC000000687081
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