Vitas-M small molecule compound
2-(3,5-dichloro-2-methoxyphenyl)-3-{[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK677462
SMILES COc1c(Cl)cc(cc1C1Nc2cc(ccc2C(=O)N1/N=C/c1cc(Cl)cc(c1OC)Cl)[N+](=O)[O-])Cl
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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 C23H16Cl4N4O5 MW 570.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl4N4O5/c1-35-20-11(5-12(24)7-17(20)26)10-28-30-22(16-6-13(25)8-18(27)21(16)36-2)29-19-9-14(31(33)34)3-4-15(19)23(30)32/h3-10,22,29H,1-2H3/b28-10+InChIKey
DSPBPEGWQSYELX-ORBVJSQLSA-NSynonyms
2(35dichloro2methoxyphenyl)3(((E)(35dichloro2methoxyphenyl)methylidene)amino)7nitro23dihydroquinazolin4(1H)one
2(35dichloro2methoxyphenyl)3((E)(35dichloro2methoxyphenyl)methylideneamino)7nitro12dihydroquinazolin4one
COC1=C(C=C(C=C1C=NN2C(NC3=C(C2=O)C=CC(=C3)(N+)(=O)(O))C4=CC(=CC(=C4OC)Cl)Cl)Cl)Cl
COc1c(Cl)cc(cc1C1Nc2cc(ccc2C(=O)N1N=Cc1cc(Cl)cc(c1OC)Cl)(N+)(=O)(O))Cl
InChI=1SC23H16Cl4N4O5c1352011(512(24)717(20)26)10283022(16613(25)818(27)21(16)362)2919914(31(33)34)3415(19)23(30)32h3102229H12H3b2810+
MFCD03035456
ZINC000002192752
ZINC000002192754
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