Vitas-M small molecule compound
12-(2-chloro-5-nitrophenyl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[a]acridin-11(7H)-one
Catalog ID
STK065517
SMILES O=C1CC(C)(C)CC2=C1C(c1cc(ccc1Cl)[N+](=O)[O-])c1c(N2)ccc2c1cccc2
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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 C25H21ClN2O3 MW 432.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3/c1-25(2)12-20-24(21(29)13-25)23(17-11-15(28(30)31)8-9-18(17)26)22-16-6-4-3-5-14(16)7-10-19(22)27-20/h3-11,23,27H,12-13H2,1-2H3InChIKey
IRAFJWCEGJOZKT-UHFFFAOYSA-NSynonyms
312598-67-712(2chloro5nitrophenyl)99dimethyl781012tetrahydrobenzo(a)acridin11one
12(2chloro5nitrophenyl)99dimethyl891012tetrahydrobenzo(a)acridin11(7H)one
312598677
CC1(CC2=C(C(C3=C(N2)C=CC4=CC=CC=C43)C5=C(C=CC(=C5)(N+)(=O)(O))Cl)C(=O)C1)C
InChI=1SC25H21ClN2O3c125(2)122024(21(29)1325)23(171115(28(30)31)8918(17)26)2216643514(16)71019(22)2720h3112327H1213H212H3
MFCD01824501
O=C1CC(C)(C)CC2=C1C(c1cc(ccc1Cl)(N+)(=O)(O))c1c(N2)ccc2c1cccc2
STK065517
ZINC000008781194
ZINC000008781195
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