Vitas-M small molecule compound
ethyl 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756306
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)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 C27H29ClN2O3S MW 497.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O3S/c1-5-33-26(32)24-22(16-6-12-19(34-4)13-7-16)23-20(14-27(2,3)15-21(23)31)30(25(24)29)18-10-8-17(28)9-11-18/h6-13,22H,5,14-15,29H2,1-4H3InChIKey
RPOKWVMAKMRKKW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)Cl)N
ethyl2amino1(4chlorophenyl)77dimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO1(4CHLOROPHENYL)77DIMETHYL4(4METHYLSULFANYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC27H29ClN2O3Sc153326(32)2422(1661219(344)13716)2320(1427(23)1521(23)31)30(25(24)29)1810817(28)91118h61322H5141529H214H3
MFCD01240330
ZINC000002188160
ZINC000002188161
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