Vitas-M small molecule compound
methyl 2-({[2-(4-propylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK422513
SMILES CCCc1ccc(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 C31H32N2O3S MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3S/c1-3-10-20-15-17-21(18-16-20)26-19-24(22-11-8-9-13-25(22)32-26)29(34)33-30-28(31(35)36-2)23-12-6-4-5-7-14-27(23)37-30/h8-9,11,13,15-19H,3-7,10,12,14H2,1-2H3,(H,33,34)InChIKey
OTKYXZIYVJCVGK-UHFFFAOYSA-NSynonyms
CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
InChI=1SC31H32N2O3Sc131020151721(181620)261924(2211891325(22)3226)29(34)333028(31(35)362)231264571427(23)3730h8911131519H37101214H212H3(H3334)
methyl2(((2(4propylphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4propylphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD02373695
ZINC000002108013
ZINC02108013
ZINC2108013
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