Vitas-M small molecule compound
methyl 4-(2,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK025824
SMILES COc1ccc(c(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)C)OC
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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 C28H31NO7 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7/c1-15-25(28(31)36-6)26(19-14-18(32-2)8-10-22(19)33-3)27-20(29-15)11-17(12-21(27)30)16-7-9-23(34-4)24(13-16)35-5/h7-10,13-14,17,26,29H,11-12H2,1-6H3InChIKey
DJGONRQFWGATQI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=C(C=CC(=C4)OC)OC)C(=O)OC
COc1ccc(c(c1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)C)OC
InChI=1SC28H31NO7c11525(28(31)366)26(191418(322)81022(19)333)2720(2915)1117(1221(27)30)167923(344)24(1316)355h7101314172629H1112H216H3
methyl4(25dimethoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(25dimethoxyphenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224200
STK025824
ZINC000000863408
ZINC000000863411
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