Vitas-M small molecule compound
methyl 2-{[(2,4-dimethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK441810
SMILES COc1ccc(c(c1)OC)C(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2
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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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-25-13-10-11-14(16(12-13)26-2)19(23)22-20-18(21(24)27-3)15-8-6-4-5-7-9-17(15)28-20/h10-12H,4-9H2,1-3H3,(H,22,23)InChIKey
FLHMDFKXWQIQNF-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)OC
InChI=1SC21H25NO5Sc12513101114(16(1213)262)19(23)222018(21(24)273)1586457917(15)2820h1012H49H213H3(H2223)
methyl2(((24dimethoxyphenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((24dimethoxybenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01349329
ZINC000002738863
ZINC02738863
ZINC2738863
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