Vitas-M small molecule compound
2,4-dichloro-N-{1-[4-ethyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK140046
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1C(NC(=O)c1ccc(cc1Cl)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 C22H22Cl2N6O4S MW 537.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N6O4S/c1-4-29-20(13(3)25-21(32)16-7-5-14(23)10-17(16)24)27-28-22(29)35-11-19(31)26-18-8-6-15(30(33)34)9-12(18)2/h5-10,13H,4,11H2,1-3H3,(H,25,32)(H,26,31)InChIKey
PWVPCJWXISUMQO-UHFFFAOYSA-NSynonyms
24DICHLORON(1(4ETHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
24DICHLORON(1(4ETHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))C)C(C)NC(=O)C3=C(C=C(C=C3)Cl)Cl
CCn1c(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))nnc1C(NC(=O)c1ccc(cc1Cl)Cl)C
InChI=1SC22H22Cl2N6O4Sc142920(13(3)2521(32)167514(23)1017(16)24)272822(29)351119(31)26188615(30(33)34)912(18)2h51013H411H213H3(H2532)(H2631)
MFCD04212938
ZINC000059778519
ZINC000059778524
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