Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 3-methoxybenzoate
Catalog ID
STK105674
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)OC)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 C24H24N4O6 MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O6/c1-12-19(22(29)27-25-12)21(20-13(2)26-28-23(20)30)14-8-9-17(18(11-14)33-4)34-24(31)15-6-5-7-16(10-15)32-3/h5-11,21H,1-4H3,(H2,25,27,29)(H2,26,28,30)InChIKey
QTOCPYLRLXHUKF-UHFFFAOYSA-NSynonyms
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)3METHOXYBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL3METHOXYBENZOATE
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)OC)C4=C(NNC4=O)C
COc1cc(ccc1OC(=O)c1cccc(c1)OC)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC24H24N4O6c11219(22(29)272512)21(2013(2)262823(20)30)148917(18(1114)334)3424(31)1565716(1015)323h51121H14H3(H2252729)(H2262830)
MFCD08679771
ZINC000019810591
ZINC19810591
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