Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
Catalog ID
STL069887
SMILES [O-][N+](=O)c1ccc(nc1)Sc1nnc(n1c1ccccc1)c1ccc(cc1)C(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 C23H21N5O2S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2S/c1-23(2,3)17-11-9-16(10-12-17)21-25-26-22(27(21)18-7-5-4-6-8-18)31-20-14-13-19(15-24-20)28(29)30/h4-15H,1-3H3InChIKey
IDDAFTLMFLOPSX-UHFFFAOYSA-NSynonyms
462074-39-1(O)(N+)(=O)c1ccc(nc1)Sc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C
2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)5nitropyridine
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)5NITROPYRIDINE
2((5(4tertbutylphenyl)4phenyl4H124triazol3yl)sulfanyl)5nitropyridine
462074391
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H21N5O2Sc123(23)1711916(101217)21252622(27(21)187546818)3120141319(152420)28(29)30h415H13H3
MFCD01203171
ZINC000009273912
ZINC09273912
ZINC9273912
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