Vitas-M small molecule compound
2-phenylethyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006479
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc1)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 C33H31NO6 MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO6/c1-20-30(33(36)38-15-14-21-6-4-3-5-7-21)31(23-10-13-28-29(18-23)40-19-39-28)32-26(34-20)16-24(17-27(32)35)22-8-11-25(37-2)12-9-22/h3-13,18,24,31,34H,14-17,19H2,1-2H3InChIKey
XTOKWTPBUWQIBS-UHFFFAOYSA-NSynonyms
2phenylethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OCCC6=CC=CC=C6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OCCc1ccccc1)C
InChI=1SC33H31NO6c12030(33(36)381514216435721)31(2310132829(1823)40193928)3226(3420)1624(1727(32)35)2281125(372)12922h31318243134H141719H212H3
MFCD02632886
STK006479
ZINC000001201581
ZINC000001201587
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