Vitas-M small molecule compound
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL169735
SMILES CSc1nnc(n1/N=C/c1cc2OCOc2cc1Cl)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 C17H13ClN4O2S MW 372.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN4O2S/c1-25-17-21-20-16(11-5-3-2-4-6-11)22(17)19-9-12-7-14-15(8-13(12)18)24-10-23-14/h2-9H,10H2,1H3/b19-9+InChIKey
WBKFBDBVXRDNSJ-DJKKODMXSA-NSynonyms
362499-66-9(E)1(6chloro13benzodioxol5yl)N(3methylsulfanyl5phenyl124triazol4yl)methanimine
362499669
CSC1=NN=C(N1N=CC2=CC3=C(C=C2Cl)OCO3)C4=CC=CC=C4
CSc1nnc(n1N=Cc1cc2OCOc2cc1Cl)c1ccccc1
InChI=1SC17H13ClN4O2Sc12517212016(115324611)22(17)1991271415(813(12)18)24102314h29H10H21H3b199+
MFCD01161698
N((E)(6chloro13benzodioxol5yl)methylidene)3(methylsulfanyl)5phenyl4H124triazol4amine
ZINC000005515352
ZINC35448389
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