Vitas-M small molecule compound
cyclopentyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK025828
SMILES COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
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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 C27H35NO6 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6/c1-15-21(26(30)34-16-9-7-8-10-16)22(23-18(28-15)13-27(2,3)14-19(23)29)17-11-12-20(31-4)25(33-6)24(17)32-5/h11-12,16,22,28H,7-10,13-14H2,1-6H3InChIKey
XLOCHZQJWJRRFI-UHFFFAOYSA-NSynonyms
314048-41-4314048414
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OC4CCCC4
COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl277trimethyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl5oxo4(234trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC27H35NO6c11521(26(30)34169781016)22(2318(2815)1327(23)1419(23)29)17111220(314)25(336)24(17)325h1112162228H7101314H216H3
MFCD00753302
STK025828
ZINC000019536463
ZINC000019536466
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