Vitas-M small molecule compound
methyl 2-({[2-(4-methylphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK332852
SMILES COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C
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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 C29H28N2O3S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3S/c1-18-13-15-19(16-14-18)24-17-22(20-9-7-8-11-23(20)30-24)27(32)31-28-26(29(33)34-2)21-10-5-3-4-6-12-25(21)35-28/h7-9,11,13-17H,3-6,10,12H2,1-2H3,(H,31,32)InChIKey
IJRGNGROQVIBSA-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC
InChI=1SC29H28N2O3Sc118131519(161418)241722(209781123(20)3024)27(32)312826(29(33)342)211053461225(21)3528h79111317H361012H212H3(H3132)
methyl2(((2(4methylphenyl)quinolin4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4methylphenyl)quinoline4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01354327
ZINC000002740434
ZINC02740434
ZINC2740434
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