Vitas-M small molecule compound
2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK101522
SMILES CCn1c(SCc2ccccc2C#N)nnc1c1ccc(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 C18H15N5O2S MW 365.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O2S/c1-2-22-17(13-7-9-16(10-8-13)23(24)25)20-21-18(22)26-12-15-6-4-3-5-14(15)11-19/h3-10H,2,12H2,1H3InChIKey
FBOPXYUIQYNCSB-UHFFFAOYSA-NSynonyms
2(((4ETHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)METHYL)BENZONITRILE
2((4ETHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)(N+)(=O)(O)
CCn1c(SCc2ccccc2C#N)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H15N5O2Sc122217(137916(10813)23(24)25)202118(22)261215643514(15)1119h310H212H21H3
MFCD03877779
ZINC000004679507
ZINC04679507
ZINC4679507
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