Vitas-M small molecule compound
3-(methylsulfanyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-4H-1,2,4-triazol-4-amine
Catalog ID
STK979768
SMILES CSc1nnc(n1/N=C/c1cc2OCOc2cc1[N+](=O)[O-])c1ccccc1
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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 C17H13N5O4S MW 383.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O4S/c1-27-17-20-19-16(11-5-3-2-4-6-11)21(17)18-9-12-7-14-15(26-10-25-14)8-13(12)22(23)24/h2-9H,10H2,1H3/b18-9+InChIKey
UBJMBDVFFLNEGR-GIJQJNRQSA-NSynonyms
362473-26-5(E)N(3methylsulfanyl5phenyl124triazol4yl)1(6nitro13benzodioxol5yl)methanimine
3(methylsulfanyl)N((E)(6nitro13benzodioxol5yl)methylidene)5phenyl4H124triazol4amine
362473265
CSC1=NN=C(N1N=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)C4=CC=CC=C4
CSc1nnc(n1N=Cc1cc2OCOc2cc1(N+)(=O)(O))c1ccccc1
InChI=1SC17H13N5O4Sc12717201916(115324611)21(17)1891271415(26102514)813(12)22(23)24h29H10H21H3b189+
MFCD01159966
ZINC000002734188
ZINC36007963
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