Vitas-M small molecule compound
ethyl 2-({[2-(3-chlorophenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK426302
SMILES CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1c(C)c(nc2c1cccc2)c1cccc(c1)Cl
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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 C29H27ClN2O3S MW 519.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O3S/c1-3-35-29(34)25-21-13-5-4-6-15-23(21)36-28(25)32-27(33)24-17(2)26(18-10-9-11-19(30)16-18)31-22-14-8-7-12-20(22)24/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,32,33)InChIKey
OEJSINPVWKLDBZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C
ethyl2(((2(3chlorophenyl)3methylquinolin4yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(3chlorophenyl)3methylquinoline4carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC29H27ClN2O3Sc133529(34)2521135461523(21)3628(25)3227(33)2417(2)26(181091119(30)1618)312214871220(22)24h7121416H361315H212H3(H3233)
MFCD02608481
ZINC000002108273
ZINC02108273
ZINC2108273
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