Vitas-M small molecule compound
methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK078386
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccc(cc1)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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-14-23(27(31)35-5)24(17-12-21(32-2)26(34-4)22(13-17)33-3)25-19(29-14)10-16(11-20(25)30)15-6-8-18(28)9-7-15/h6-9,12-13,16,24,29H,10-11H2,1-5H3InChIKey
MZTJYRCGYQKHIR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC27H28ClNO6c11423(27(31)355)24(171221(322)26(344)22(1317)333)2519(2914)1016(1120(25)30)156818(28)9715h691213162429H1011H215H3
methyl7(4chlorophenyl)2methyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)2methyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD01445558
STK078386
ZINC000000651974
ZINC000000651981
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