Vitas-M small molecule compound
methyl 2-({[2-(4-propoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK423629
SMILES CCCOc1ccc(cc1)c1nc2ccccc2c(c1)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 C31H32N2O4S MW 528.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O4S/c1-3-18-37-21-16-14-20(15-17-21)26-19-24(22-10-8-9-12-25(22)32-26)29(34)33-30-28(31(35)36-2)23-11-6-4-5-7-13-27(23)38-30/h8-10,12,14-17,19H,3-7,11,13,18H2,1-2H3,(H,33,34)InChIKey
GEIMZHSSICXHKZ-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
InChI=1SC31H32N2O4Sc13183721161420(151721)261924(2210891225(22)3226)29(34)333028(31(35)362)231164571327(23)3830h81012141719H37111318H212H3(H3334)
methyl2(((2(4propoxyphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4propoxyphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01923782
ZINC000002755370
ZINC02755370
ZINC2755370
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