Vitas-M small molecule compound
5-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]furan-2-yl}-2-chlorobenzoic acid
Catalog ID
STK279161
SMILES OC(=O)c1cc(ccc1Cl)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 C20H17ClN4O5 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O5/c1-8-15(18(26)24-22-8)17(16-9(2)23-25-19(16)27)14-6-5-13(30-14)10-3-4-12(21)11(7-10)20(28)29/h3-7,17H,1-2H3,(H,28,29)(H2,22,24,26)(H2,23,25,27)InChIKey
BYBCGGBFIRCZOR-UHFFFAOYSA-NSynonyms
910110-39-35(5(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)FURAN2YL)2CHLOROBENZOICACID
5(5(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)FURAN2YL)2CHLOROBENZOICACID
910110393
CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C4=C(NNC4=O)C
InChI=1SC20H17ClN4O5c1815(18(26)24228)17(169(2)232519(16)27)146513(3014)103412(21)11(710)20(28)29h3717H12H3(H2829)(H2222426)(H2232527)
MFCD05237959
OC(=O)c1cc(ccc1Cl)c1ccc(o1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
ZINC000020026396
ZINC20026396
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