Vitas-M small molecule compound
propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363581
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-6-35-25-15-19(9-12-23(25)31)27-26(29(33)36-16(2)3)17(4)30-22-13-20(14-24(32)28(22)27)18-7-10-21(34-5)11-8-18/h7-12,15-16,20,27,30-31H,6,13-14H2,1-5H3InChIKey
GFRPUCYBNXOADN-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC(C)C)C)O
InChI=1SC29H33NO6c1635251519(91223(25)31)2726(29(33)3616(2)3)17(4)30221320(1424(32)28(22)27)1871021(345)11818h712151620273031H61314H215H3
MFCD01445660
propan2yl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000000847669
ZINC000000847672
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