Vitas-M small molecule compound
2-{[5-(1H-benzotriazol-1-ylmethyl)-4-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STL172121
SMILES O=C(CSc1nnc(n1c1ccc(cc1Cl)Cl)Cn1nnc2c1cccc2)N/N=C/c1cccc(c1)[N+](=O)[O-]
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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 C24H17Cl2N9O3S MW 582.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17Cl2N9O3S/c25-16-8-9-20(18(26)11-16)34-22(13-33-21-7-2-1-6-19(21)28-32-33)29-31-24(34)39-14-23(36)30-27-12-15-4-3-5-17(10-15)35(37)38/h1-12H,13-14H2,(H,30,36)/b27-12+InChIKey
OIJUGGBDBPRUSZ-KKMKTNMSSA-NSynonyms
760950-91-22((5(1Hbenzotriazol1ylmethyl)4(24dichlorophenyl)4H124triazol3yl)sulfanyl)N((E)(3nitrophenyl)methylidene)acetohydrazide
2((5(benzotriazol1ylmethyl)4(24dichlorophenyl)124triazol3yl)sulfanyl)N((E)(3nitrophenyl)methylideneamino)acetamide
760950912
C1=CC=C2C(=C1)N=NN2CC3=NN=C(N3C4=C(C=C(C=C4)Cl)Cl)SCC(=O)NN=CC5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC24H17Cl2N9O3Sc25168920(18(26)1116)3422(133321721619(21)283233)293124(34)391423(36)3027121543517(1015)35(37)38h112H1314H2(H3036)b2712+
MFCD01920374
O=C(CSc1nnc(n1c1ccc(cc1Cl)Cl)Cn1nnc2c1cccc2)NN=Cc1cccc(c1)(N+)(=O)(O)
ZINC000002745407
ZINC100482072
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