Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2,4-dichlorobenzoate
Catalog ID
STK029934
SMILES Clc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C22H18Cl2N4O4 MW 473.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N4O4/c1-10-17(20(29)27-25-10)19(18-11(2)26-28-21(18)30)12-3-6-14(7-4-12)32-22(31)15-8-5-13(23)9-16(15)24/h3-9,19H,1-2H3,(H2,25,27,29)(H2,26,28,30)InChIKey
NYYJCVLNFLCPJP-UHFFFAOYSA-NSynonyms
433233-81-9(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)24DICHLOROBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL24DICHLOROBENZOATE
433233819
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=C(NNC4=O)C
Clc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC22H18Cl2N4O4c11017(20(29)272510)19(1811(2)262821(18)30)123614(7412)3222(31)158513(23)916(15)24h3919H12H3(H2252729)(H2262830)
MFCD03068599
STK029934
ZINC000019959550
ZINC19959550
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