Vitas-M small molecule compound
cyclopentyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372315
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C)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 C31H35NO4 MW 485.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO4/c1-20-27(30(34)36-22-13-7-8-14-22)28(29-24(32-20)17-31(2,3)18-25(29)33)23-15-9-10-16-26(23)35-19-21-11-5-4-6-12-21/h4-6,9-12,15-16,22,28,32H,7-8,13-14,17-19H2,1-3H3InChIKey
ZVURHDQDSBVFJC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCC5
cyclopentyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
cyclopentyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC31H35NO4c12027(30(34)362213781422)28(2924(3220)1731(23)1825(29)33)23159101626(23)351921115461221h469121516222832H7813141719H213H3
MFCD00770973
ZINC000003098411
ZINC000003098412
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