Vitas-M small molecule compound
(1-ethyl-4-nitro-1H-pyrazol-3-yl){(7E)-3-(4-methyl-1,3-thiazol-5-yl)-7-[(4-methyl-1,3-thiazol-5-yl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}methanone
Catalog ID
STK302279
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1N=C2C(C1c1scnc1C)CCC/C/2=C\c1scnc1C
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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 C22H23N7O3S2 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N7O3S2/c1-4-27-9-16(29(31)32)19(25-27)22(30)28-20(21-13(3)24-11-34-21)15-7-5-6-14(18(15)26-28)8-17-12(2)23-10-33-17/h8-11,15,20H,4-7H2,1-3H3/b14-8+InChIKey
YFKAGNWIGBBXNK-RIYZIHGNSA-NSynonyms
512817-51-5(1ethyl4nitro1Hpyrazol3yl)((7E)3(4methyl13thiazol5yl)7((4methyl13thiazol5yl)methylidene)33a4567hexahydro2Hindazol2yl)methanone
(1ETHYL4NITROPYRAZOL3YL)((7E)3(4METHYL13THIAZOL5YL)7((4METHYL13THIAZOL5YL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
512817515
CCN1C=C(C(=N1)C(=O)N2C(C3CCCC(=CC4=C(N=CS4)C)C3=N2)C5=C(N=CS5)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1N=C2C(C1c1scnc1C)CCCC2=Cc1scnc1C
InChI=1SC22H23N7O3S2c1427916(29(31)32)19(2527)22(30)2820(2113(3)24113421)1575614(18(15)2628)81712(2)23103317h8111520H47H213H3b148+
MFCD03468055
ZINC000008455391
ZINC000008455394
Check stock
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