Vitas-M small molecule compound
2-({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK154228
SMILES N#Cc1ccccc1CSc1nnc(n1C)c1ccc(cc1)[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 C17H13N5O2S MW 351.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O2S/c1-21-16(12-6-8-15(9-7-12)22(23)24)19-20-17(21)25-11-14-5-3-2-4-13(14)10-18/h2-9H,11H2,1H3InChIKey
UXWVNQGDHVRBDO-UHFFFAOYSA-NSynonyms
2(((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H13N5O2Sc12116(126815(9712)22(23)24)192017(21)251114532413(14)1018h29H11H21H3
MFCD03877003
N#Cc1ccccc1CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000001137420
ZINC01137420
ZINC1137420
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