Vitas-M small molecule compound
propan-2-yl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403142
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1coc2c(c1=O)cccc2)C(=O)OC(C)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 C30H29NO6 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6/c1-16(2)37-30(34)26-17(3)31-22-13-18(19-9-5-7-11-24(19)35-4)14-23(32)28(22)27(26)21-15-36-25-12-8-6-10-20(25)29(21)33/h5-12,15-16,18,27,31H,13-14H2,1-4H3InChIKey
ROBCTMOINUPRSP-UHFFFAOYSA-NSynonyms
670232-21-0670232210
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=COC5=CC=CC=C5C4=O)C(=O)OC(C)C
InChI=1SC30H29NO6c116(2)3730(34)2617(3)31221318(199571124(19)354)1423(32)28(22)27(26)2115362512861020(25)29(21)33h5121516182731H1314H214H3
MFCD03371106
propan2yl7(2methoxyphenyl)2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
propan2yl7(2methoxyphenyl)2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
ZINC000001438881
ZINC000001438884
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