Vitas-M small molecule compound
methyl 3-({5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}carbamoyl)-5-nitrobenzoate
Catalog ID
STK204179
SMILES N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])c1ccc(cc1)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 C24H17Cl2N3O5 MW 498.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Cl2N3O5/c1-13-7-19(20(12-27)14-3-5-17(25)6-4-14)21(26)11-22(13)28-23(30)15-8-16(24(31)34-2)10-18(9-15)29(32)33/h3-11,20H,1-2H3,(H,28,30)InChIKey
BMBBFDJBNKMQAZ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)Cl)C(C#N)C3=CC=C(C=C3)Cl
InChI=1SC24H17Cl2N3O5c113719(20(1227)143517(25)6414)21(26)1122(13)2823(30)15816(24(31)342)1018(915)29(32)33h31120H12H3(H2830)
METHYL3((5CHLORO4((4CHLOROPHENYL)(CYANO)METHYL)2METHYLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL3((5CHLORO4((4CHLOROPHENYL)CYANOMETHYL)2METHYLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5CHLORO4((4CHLOROPHENYL)CYANOMETHYL)2METHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD06152255
N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))c1ccc(cc1)Cl
ZINC000002865426
ZINC000002865427
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