Vitas-M small molecule compound
5-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK309697
SMILES CCn1ncc(c1C)n1c(S)nnc1c1ccc(o1)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 C18H20N8O3S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N8O3S/c1-5-23-11(3)14(8-19-23)25-17(20-21-18(25)30)15-7-6-13(29-15)9-24-12(4)16(26(27)28)10(2)22-24/h6-8H,5,9H2,1-4H3,(H,21,30)InChIKey
LGFCTKJLGMVKAA-UHFFFAOYSA-NSynonyms
1005636-10-11005636101
3(5((35dimethyl4nitropyrazol1yl)methyl)furan2yl)4(1ethyl5methylpyrazol4yl)1H124triazole5thione
5(5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)4(1ethyl5methyl1Hpyrazol4yl)4H124triazole3thiol
5(5((35DIMETHYL4NITROPYRAZOLYL)METHYL)(2FURYL))4(1ETHYL5METHYLPYRAZOL4YL)124TRIAZOLE3THIOL
CCN1C(=C(C=N1)N2C(=NNC2=S)C3=CC=C(O3)CN4C(=C(C(=N4)C)(N+)(=O)(O))C)C
CCn1ncc(c1C)n1c(S)nnc1c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC18H20N8O3Sc152311(3)14(81923)2517(202118(25)30)157613(2915)92412(4)16(26(27)28)10(2)2224h68H59H214H3(H2130)
MFCD04053078
ZINC000002802721
ZINC2802721
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