Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403180
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCC1CCCO1
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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 C31H35NO7 MW 533.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO7/c1-18-28(31(34)39-17-21-8-7-13-38-21)29(19-11-12-26(36-3)27(16-19)37-4)30-23(32-18)14-20(15-24(30)33)22-9-5-6-10-25(22)35-2/h5-6,9-12,16,20-21,29,32H,7-8,13-15,17H2,1-4H3InChIKey
XQFXPUXDFPXSAK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)OC)C(=O)OCC5CCCO5
InChI=1SC31H35NO7c11828(31(34)39172187133821)29(19111226(363)27(1619)374)3023(3218)1420(1524(30)33)229561025(22)352h569121620212932H78131517H214H3
MFCD03312409
oxolan2ylmethyl4(34dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(34dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019848850
ZINC000229921720
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