Vitas-M small molecule compound

2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone

Catalog ID
STK599843
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1N)c1cc([nH]n1)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 C14H13N7O3S MW 359.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N7O3S/c1-8-6-11(17-16-8)13-18-19-14(20(13)15)25-7-12(22)9-2-4-10(5-3-9)21(23)24/h2-6H,7,15H2,1H3,(H,16,17)
InChIKey
AKJRNTWKPKLCOI-UHFFFAOYSA-N
Synonyms
879467-57-9
2((4amino5(3methyl1Hpyrazol5yl)4H124triazol3yl)thio)1(4nitrophenyl)ethanone
2((4AMINO5(5METHYL1HPYRAZOL3YL)124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4amino5(5methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2(4AMINO5(3METHYLPYRAZOL5YL)(124TRIAZOL3YLTHIO))1(4NITROPHENYL)ETHAN1ONE
879467579
CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC14H13N7O3Sc18611(17168)13181914(20(13)15)25712(22)92410(539)21(23)24h26H715H21H3(H1617)
MFCD07208830
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1N)c1(nH)nc(c1)C
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1N)c1cc((nH)n1)C
ZINC000009541434
ZINC09541434
ZINC9541434

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Available files

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