Vitas-M small molecule compound
4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
Catalog ID
STK782193
SMILES N#Cc1ccc(cc1)CSc1nnc(n1C)Cn1c(C)ncc1[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 C16H15N7O2S MW 369.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N7O2S/c1-11-18-8-15(23(24)25)22(11)9-14-19-20-16(21(14)2)26-10-13-5-3-12(7-17)4-6-13/h3-6,8H,9-10H2,1-2H3InChIKey
ATXLNSQOZSPCMC-UHFFFAOYSA-NSynonyms
4(((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
4((4METHYL5((2METHYL5NITROIMIDAZOLYL)METHYL)124TRIAZOL3YLTHIO)METHYL)BENZENECARBONITRILE
CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC=C(C=C3)C#N)(N+)(=O)(O)
InChI=1SC16H15N7O2Sc11118815(23(24)25)22(11)914192016(21(14)2)2610135312(717)4613h368H910H212H3
MFCD06016995
N#Cc1ccc(cc1)CSc1nnc(n1C)Cn1c(C)ncc1(N+)(=O)(O)
ZINC000004625592
ZINC04625592
ZINC4625592
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