Vitas-M small molecule compound
ethyl 2-({[2-(3-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK423693
SMILES CCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OCC)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/c1-3-36-21-13-11-12-20(18-21)26-19-24(22-14-9-10-16-25(22)32-26)29(34)33-30-28(31(35)37-4-2)23-15-7-5-6-8-17-27(23)38-30/h9-14,16,18-19H,3-8,15,17H2,1-2H3,(H,33,34)InChIKey
UACLOXWVKBYIPG-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OCC
ethyl2(((2(3ethoxyphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((2(3ethoxyphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC31H32N2O4Sc13362113111220(1821)261924(22149101625(22)3226)29(34)333028(31(35)3742)231575681727(23)3830h914161819H381517H212H3(H3334)
MFCD01922555
ZINC000002753501
ZINC02753501
ZINC2753501
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