Vitas-M small molecule compound
(4Z)-4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK096651
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])/C1=O)c1ccc(cc1)[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 C25H15Cl2N7O6S MW 612.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15Cl2N7O6S/c1-40-17-8-4-13(5-9-17)20-12-41-25(28-20)32-24(35)23(21(31-32)14-2-6-15(7-3-14)33(36)37)30-29-22-18(26)10-16(34(38)39)11-19(22)27/h2-12,29H,1H3/b30-23-InChIKey
SGJBGYXBHKUNPH-WMMMYUQOSA-NSynonyms
(4Z)4((26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
(4Z)4(2(26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=C(C=C(C=C4Cl)(N+)(=O)(O))Cl)C(=N3)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2c(Cl)cc(cc2Cl)(N+)(=O)(O))C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H15Cl2N7O6Sc140178413(5917)20124125(2820)3224(35)23(21(3132)142615(7314)33(36)37)30292218(26)1016(34(38)39)1119(22)27h21229H1H3b3023
MFCD01418565
STK096651
ZINC000100006026
ZINC08397593
ZINC8397593
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.