Vitas-M small molecule compound
propan-2-yl 2-({[2-(4-ethoxyphenyl)-6-methylquinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK449982
SMILES CCOc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC(C2)CC)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 C33H36N2O4S MW 556.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O4S/c1-6-21-9-14-24-29(17-21)40-32(30(24)33(37)39-19(3)4)35-31(36)26-18-28(22-10-12-23(13-11-22)38-7-2)34-27-15-8-20(5)16-25(26)27/h8,10-13,15-16,18-19,21H,6-7,9,14,17H2,1-5H3,(H,35,36)InChIKey
SUCACHWBHGXGMG-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)OCC
InChI=1SC33H36N2O4Sc16219142429(1721)4032(30(24)33(37)3919(3)4)3531(36)261828(22101223(131122)3872)342715820(5)1625(26)27h810131516181921H6791417H215H3(H3536)
MFCD03468670
propan2yl2(((2(4ethoxyphenyl)6methylquinolin4yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(4ethoxyphenyl)6methylquinoline4carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002735583
ZINC000002735584
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