Vitas-M small molecule compound
ethyl ({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STK771972
SMILES CCOC(=O)CSc1nnc(n1CC)Cn1cnc(n1)[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 C11H15N7O4S MW 341.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15N7O4S/c1-3-17-8(5-16-7-12-10(15-16)18(20)21)13-14-11(17)23-6-9(19)22-4-2/h7H,3-6H2,1-2H3InChIKey
VWYPFECTOIZPEF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)OCC)CN2C=NC(=N2)(N+)(=O)(O)
CCOC(=O)CSc1nnc(n1CC)Cn1cnc(n1)(N+)(=O)(O)
ethyl((4ethyl5((3nitro1H124triazol1yl)methyl)4H124triazol3yl)sulfanyl)acetate
ETHYL2((4ETHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC11H15N7O4Sc13178(51671210(1516)18(20)21)131411(17)2369(19)2242h7H36H212H3
MFCD03767890
ZINC000003624466
ZINC03624466
ZINC3624466
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