Vitas-M small molecule compound
cyclohexyl 7-(4-chlorophenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019459
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1[N+](=O)[O-])C(=O)OC1CCCCC1)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 C30H29ClN2O7 MW 565.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN2O7/c1-16-27(30(35)40-20-5-3-2-4-6-20)28(21-13-25-26(39-15-38-25)14-23(21)33(36)37)29-22(32-16)11-18(12-24(29)34)17-7-9-19(31)10-8-17/h7-10,13-14,18,20,28,32H,2-6,11-12,15H2,1H3InChIKey
PHMFJMUZBXXCIB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)OC6CCCCC6
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1(N+)(=O)(O))C(=O)OC1CCCCC1)C
cyclohexyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(4chlorophenyl)2methyl4(6nitro13benzodioxol5yl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H29ClN2O7c11627(30(35)40205324620)28(21132526(39153825)1423(21)33(36)37)2922(3216)1118(1224(29)34)177919(31)10817h710131418202832H26111215H21H3
MFCD01571913
STK019459
ZINC000033358302
ZINC000033358305
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