Vitas-M small molecule compound
cyclohexyl 4-(3-methoxy-2-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406521
SMILES CCCOc1c(OC)cccc1C1C(=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 C29H39NO5 MW 481.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO5/c1-6-15-34-27-20(13-10-14-23(27)33-5)25-24(28(32)35-19-11-8-7-9-12-19)18(2)30-21-16-29(3,4)17-22(31)26(21)25/h10,13-14,19,25,30H,6-9,11-12,15-17H2,1-5H3InChIKey
NDRXRLCPEOVRJJ-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=CC=C1OC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
cyclohexyl4(3methoxy2propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3methoxy2propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H39NO5c1615342720(13101423(27)335)2524(28(32)3519118791219)18(2)30211629(34)1722(31)26(21)25h101314192530H6911121517H215H3
MFCD06000436
ZINC000016392980
ZINC000016392983
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