Vitas-M small molecule compound
methyl 3-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]furan-2-yl}benzoate
Catalog ID
STK263897
SMILES COC(=O)c1cccc(c1)c1ccc(o1)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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-10-16(19(26)24-22-10)18(17-11(2)23-25-20(17)27)15-8-7-14(30-15)12-5-4-6-13(9-12)21(28)29-3/h4-9,18H,1-3H3,(H2,22,24,26)(H2,23,25,27)InChIKey
XHCYOXYTVCQWBK-UHFFFAOYSA-NSynonyms
3(5(BIS(3KETO5METHYL3PYRAZOLIN4YL)METHYL)2FURYL)BENZOICACIDMETHYLESTER
3(5(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2FURANYL)BENZOICACIDMETHYLESTER
CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC)C4=C(NNC4=O)C
COC(=O)c1cccc(c1)c1ccc(o1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC21H20N4O5c11016(19(26)242210)18(1711(2)232520(17)27)158714(3015)1254613(912)21(28)293h4918H13H3(H2222426)(H2232527)
METHYL3(5(BIS(3METHYL5OXIDANYLIDENE12DIHYDROPYRAZOL4YL)METHYL)FURAN2YL)BENZOATE
METHYL3(5(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)FURAN2YL)BENZOATE
METHYL3(5(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)FURAN2YL)BENZOATE
MFCD05237670
ZINC000019974282
ZINC19974282
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.