Vitas-M small molecule compound
2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK038077
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CC(C2)(C)C)OCCOc1ccccc1
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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 C33H33NO5 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO5/c1-22-29(32(36)38-18-17-37-24-12-6-4-7-13-24)30(31-27(34-22)20-33(2,3)21-28(31)35)23-11-10-16-26(19-23)39-25-14-8-5-9-15-25/h4-16,19,30,34H,17-18,20-21H2,1-3H3InChIKey
WSFWWJHVIIRXJR-UHFFFAOYSA-NSynonyms
2phenoxyethyl277trimethyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline3carboxylate
2phenoxyethyl277trimethyl5oxo4(3phenoxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCOC5=CC=CC=C5
InChI=1SC33H33NO5c12229(32(36)3818173724126471324)30(3127(3422)2033(23)2128(31)35)2311101626(1923)3925148591525h416193034H17182021H213H3
MFCD01193788
O=C(C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CC(C2)(C)C)OCCOc1ccccc1
STK038077
ZINC000019848667
ZINC000019848669
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