Vitas-M small molecule compound
2-methylpropyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363722
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OCC(C)C)c1ccc2c(c1)OCO2
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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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-16(2)14-34-29(32)26-17(3)30-22-11-20(18-5-8-21(33-4)9-6-18)12-23(31)28(22)27(26)19-7-10-24-25(13-19)36-15-35-24/h5-10,13,16,20,27,30H,11-12,14-15H2,1-4H3InChIKey
KGBHFGQYIKDZNU-UHFFFAOYSA-NSynonyms
5724-19-62methylpropyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
5724196
BENZENEMETHANAMINEA((11DIMETHYLETHYL)THIO)NNDIMETHYL
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OCC(C)C
InChI=1SC29H31NO6c116(2)143429(32)2617(3)30221120(185821(334)9618)1223(31)28(22)27(26)197102425(1319)36153524h5101316202730H11121415H214H3
MFCD01571729
ZINC000019938732
ZINC000019938735
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