Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-methylbenzoate
Catalog ID
STK054461
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O
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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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c1-12-5-7-15(8-6-12)24(31)33-17-10-9-16(11-18(17)32-4)21(19-13(2)25-27-22(19)29)20-14(3)26-28-23(20)30/h5-11,21H,1-4H3,(H2,25,27,29)(H2,26,28,30)InChIKey
YDDCLIJSHIVCRX-UHFFFAOYSA-NSynonyms
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)4METHYLBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC24H24N4O5c1125715(8612)24(31)331710916(1118(17)324)21(1913(2)252722(19)29)2014(3)262823(20)30h51121H14H3(H2252729)(H2262830)
MFCD08051259
STK054461
ZINC000020131483
ZINC20131483
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