Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl 3-chlorobenzoate
Catalog ID
STK039146
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)Cl)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 C24H23ClN4O5 MW 482.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O5/c1-4-33-18-11-14(8-9-17(18)34-24(32)15-6-5-7-16(25)10-15)21(19-12(2)26-28-22(19)30)20-13(3)27-29-23(20)31/h5-11,21H,4H2,1-3H3,(H2,26,28,30)(H2,27,29,31)InChIKey
CVBNAVJNPWPHQC-UHFFFAOYSA-NSynonyms
433705-06-7(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2ETHOXYPHENYL)3CHLOROBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2ETHOXYPHENYL3CHLOROBENZOATE
433705067
CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC(=CC=C4)Cl
CCOc1cc(ccc1OC(=O)c1cccc(c1)Cl)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC24H23ClN4O5c1433181114(8917(18)3424(32)1565716(25)1015)21(1912(2)262822(19)30)2013(3)272923(20)31h51121H4H213H3(H2262830)(H2272931)
MFCD03269875
STK039146
ZINC000008395920
ZINC08395920
ZINC8395920
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