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4-chloro-N-{1-[4-methyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK497626
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)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 C21H21ClN6O4S MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O4S/c1-12-4-9-16(10-17(12)28(31)32)24-18(29)11-33-21-26-25-19(27(21)3)13(2)23-20(30)14-5-7-15(22)8-6-14/h4-10,13H,11H2,1-3H3,(H,23,30)(H,24,29)
InChIKey
BHHQORQMDOVTLS-UHFFFAOYSA-N
Synonyms

4CHLORON((1R)1(4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON((1S)1(4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4chloroN(1(4methyl5((2((4methyl3nitrophenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)ethyl)benzamide
4CHLORON(1(4METHYL5((4METHYL3NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
4CHLORON(1(4METHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC21H21ClN6O4Sc1124916(1017(12)28(31)32)2418(29)113321262519(27(21)3)13(2)2320(30)145715(22)8614h41013H11H213H3(H2330)(H2429)
MFCD06006977
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)C
ZINC000002879767
ZINC000002879768

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Available files

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