Vitas-M small molecule compound

5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307245
SMILES CCn1c(S)nnc1c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])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 C16H18N6O2S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N6O2S/c1-4-20-15(17-18-16(20)25)13-7-5-12(6-8-13)9-21-11(3)14(22(23)24)10(2)19-21/h5-8H,4,9H2,1-3H3,(H,18,25)
InChIKey
NBFCLZBKTFBMNE-UHFFFAOYSA-N
Synonyms
1001756-34-8
1001756348
3(4((35DIMETHYL4NITROPYRAZOL1YL)METHYL)PHENYL)4ETHYL1H124TRIAZOLE5THIONE
5(4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)4ethyl4H124triazole3thiol
5(4((35DIMETHYL4NITROPYRAZOLYL)METHYL)PHENYL)4ETHYL124TRIAZOLE3THIOL
5(4(35DIMETHYL4NITROPYRAZOL1YLMETHYL)
5(4(35DIMETHYL4NITROPYRAZOL1YLMETHYL)PHENYL)4ETHYL4H(124)TRIAZOLE3THIOL
CCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)(N+)(=O)(O))C
CCn1c(S)nnc1c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H18N6O2Sc142015(171816(20)25)137512(6813)92111(3)14(22(23)24)10(2)1921h58H49H213H3(H1825)
MFCD03423546
ZINC000002573487
ZINC02573487
ZINC2573487

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Available files

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