Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK100338
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)(C)C)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-20-27(30(34)37-19-24-13-8-14-35-24)28(29-25(32-20)16-31(2,3)17-26(29)33)22-11-7-12-23(15-22)36-18-21-9-5-4-6-10-21/h4-7,9-12,15,24,28,32H,8,13-14,16-19H2,1-3H3InChIKey
UTCUJNYURCINBS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC5CCCO5
InChI=1SC31H35NO5c12027(30(34)371924138143524)28(2925(3220)1631(23)1726(29)33)221171223(1522)36182195461021h4791215242832H813141619H213H3
MFCD02188038
oxolan2ylmethyl277trimethyl5oxo4(3phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001213270
ZINC000001213284
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