Vitas-M small molecule compound
cyclopentyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK080822
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OC1CCCC1)C
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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 C30H30ClNO6 MW 536.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO6/c1-16-27(30(34)38-20-5-3-4-6-20)28(21-13-25-26(14-22(21)31)37-15-36-25)29-23(32-16)11-18(12-24(29)33)17-7-9-19(35-2)10-8-17/h7-10,13-14,18,20,28,32H,3-6,11-12,15H2,1-2H3InChIKey
CKODWWPLGXLAEV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C(=O)OC6CCCC6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OC1CCCC1)C
cyclopentyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H30ClNO6c11627(30(34)3820534620)28(21132526(1422(21)31)37153625)2923(3216)1118(1224(29)33)177919(352)10817h710131418202832H36111215H212H3
MFCD01655984
STK080822
ZINC000000708013
ZINC000000708016
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