Vitas-M small molecule compound
cyclohexyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372338
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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 C33H39NO5 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO5/c1-21-29(32(36)39-24-13-9-6-10-14-24)30(31-25(34-21)18-33(2,3)19-26(31)35)23-15-16-27(28(17-23)37-4)38-20-22-11-7-5-8-12-22/h5,7-8,11-12,15-17,24,30,34H,6,9-10,13-14,18-20H2,1-4H3InChIKey
PFKHZLWKPXNETG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OC5CCCCC5
cyclohexyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
cyclohexyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC33H39NO5c12129(32(36)39241396101424)30(3125(3421)1833(23)1926(31)35)23151627(28(1723)374)382022117581222h57811121517243034H691013141820H214H3
MFCD00753122
ZINC000002055235
ZINC000002055236
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