Vitas-M small molecule compound
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
Catalog ID
STK361454
SMILES OC1=NN=C(Oc2c1cccc2)CSc1nnc(n1C)C
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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 C13H13N5O2S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O2S/c1-8-14-17-13(18(8)2)21-7-11-15-16-12(19)9-5-3-4-6-10(9)20-11/h3-6H,7H2,1-2H3,(H,16,19)InChIKey
SWHYQLYSBBZWMO-UHFFFAOYSA-NSynonyms
2(((45dimethyl4H124triazol3yl)sulfanyl)methyl)134benzoxadiazepin5ol
2((45dimethyl124triazol3yl)sulfanylmethyl)4H134benzoxadiazepin5one
CC1=NN=C(N1C)SCC2=NNC(=O)C3=CC=CC=C3O2
InChI=1SC13H13N5O2Sc18141713(18(8)2)21711151612(19)9534610(9)2011h36H7H212H3(H1619)
MFCD11696125
ZINC000009145154
ZINC09145154
ZINC9145154
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