Vitas-M small molecule compound
2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK771968
SMILES Cn1c(SCC(=O)c2ccccc2)nnc1Cn1cnc(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 C14H13N7O3S MW 359.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N7O3S/c1-19-12(7-20-9-15-13(18-20)21(23)24)16-17-14(19)25-8-11(22)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3InChIKey
FOGIQZMITMSHIN-UHFFFAOYSA-NSynonyms
2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4methyl5((3nitro1H124triazol1yl)methyl)4H124triazol3yl)sulfanyl)1phenylethanone
CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C=NC(=N3)(N+)(=O)(O)
Cn1c(SCC(=O)c2ccccc2)nnc1Cn1cnc(n1)(N+)(=O)(O)
InChI=1SC14H13N7O3Sc11912(72091513(1820)21(23)24)161714(19)25811(22)105324610h269H78H21H3
MFCD03767885
ZINC000001075394
ZINC01075394
ZINC1075394
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