Vitas-M small molecule compound
5-{(E)-[2-(4-amino-4H-1,2,4-triazol-3-yl)hydrazinylidene]methyl}-7-methoxy-1,3-benzoxathiol-2-one
Catalog ID
STK787133
SMILES COc1cc(/C=N/Nc2nncn2N)cc2c1oc(=O)s2
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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 C11H10N6O3S MW 306.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N6O3S/c1-19-7-2-6(3-8-9(7)20-11(18)21-8)4-13-15-10-16-14-5-17(10)12/h2-5H,12H2,1H3,(H,15,16)/b13-4+InChIKey
BWKCTWGPVUGHRH-YIXHJXPBSA-NSynonyms
5((E)((4amino124triazol3yl)hydrazinylidene)methyl)7methoxy13benzoxathiol2one
5((E)(2(4amino4H124triazol3yl)hydrazinylidene)methyl)7methoxy13benzoxathiol2one
COC1=C2C(=CC(=C1)C=NNC3=NN=CN3N)SC(=O)O2
COc1cc(C=NNc2nncn2N)cc2c1oc(=O)s2
InChI=1SC11H10N6O3Sc119726(389(7)2011(18)218)41315101614517(10)12h25H12H21H3(H1516)b134+
MFCD10037909
ZINC000015081730
ZINC32617971
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