Vitas-M small molecule compound
methyl 2-{[(4-methylphenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK453646
SMILES COC(=O)c1c(NC(=O)COc2ccc(cc2)C)sc2c1CCCCCC2
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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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-14-9-11-15(12-10-14)26-13-18(23)22-20-19(21(24)25-2)16-7-5-3-4-6-8-17(16)27-20/h9-12H,3-8,13H2,1-2H3,(H,22,23)InChIKey
NVQMKBFNTPPLKT-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC21H25NO4Sc11491115(121014)261318(23)222019(21(24)252)1675346817(16)2720h912H3813H212H3(H2223)
methyl2(((4methylphenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4methylphenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD03073287
ZINC000000695903
ZINC00695903
ZINC695903
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