Vitas-M small molecule compound
(2-chloro-5-nitrophenyl)[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Catalog ID
STK550771
SMILES CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)c1cc(ccc1Cl)[N+](=O)[O-])OCC
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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 C31H35ClN2O7 MW 583.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN2O7/c1-5-38-27-12-9-20(16-28(27)39-6-2)15-26-23-19-30(41-8-4)29(40-7-3)17-21(23)13-14-33(26)31(35)24-18-22(34(36)37)10-11-25(24)32/h9-12,16-19,26H,5-8,13-15H2,1-4H3InChIKey
NTYULADATGELOC-UHFFFAOYSA-NSynonyms
(2CHLORO5NITROPHENYL)(1((34DIETHOXYPHENYL)METHYL)67DIETHOXY34DIHYDRO1HISOQUINOLIN2YL)METHANONE
(2chloro5nitrophenyl)(1(34diethoxybenzyl)67diethoxy34dihydroisoquinolin2(1H)yl)methanone
CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)OCC)OCC)OCC
CCOc1cc(ccc1OCC)CC1c2cc(OCC)c(cc2CCN1C(=O)c1cc(ccc1Cl)(N+)(=O)(O))OCC
InChI=1SC31H35ClN2O7c15382712920(1628(27)3962)1526231930(4184)29(4073)1721(23)131433(26)31(35)241822(34(36)37)101125(24)32h912161926H581315H214H3
MFCD03678984
ZINC000102457131
ZINC000102457137
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