Vitas-M small molecule compound
2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Catalog ID
STL340955
SMILES O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)C(C)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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-14(2)16-9-7-15(8-10-16)12-22-23-19(28)13-31-21-25-24-20(26(21)3)17-5-4-6-18(11-17)27(29)30/h4-12,14H,13H2,1-3H3,(H,23,28)/b22-12+InChIKey
MIEGBQNTCUKXFA-WSDLNYQXSA-NSynonyms
347908-84-3(E)N(4isopropylbenzylidene)2((4methyl5(3nitrophenyl)4H124triazol3yl)thio)acetohydrazide
2((4METHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4methyl5(3nitrophenyl)4H124triazol3yl)sulfanyl)N((E)(4(propan2yl)phenyl)methylidene)acetohydrazide
347908843
CC(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H22N6O3Sc114(2)169715(81016)12222319(28)133121252420(26(21)3)1754618(1117)27(29)30h41214H13H213H3(H2328)b2212+
MFCD02609882
O=C(CSc1nnc(n1C)c1cccc(c1)(N+)(=O)(O))NN=Cc1ccc(cc1)C(C)C
ZINC000009312376
ZINC33334934
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