Vitas-M small molecule compound
2-chloro-N'-{(1E)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}benzohydrazide
Catalog ID
STK605110
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NNC(=O)c2ccccc2Cl)/C)/C1=O)O
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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/c1-11(23-24-17(26)14-5-3-4-6-15(14)21)16-18(27)22-20(29)25(19(16)28)12-7-9-13(30-2)10-8-12/h3-10,23H,1-2H3,(H,24,26)(H,22,27,29)/b16-11+InChIKey
GXRMCPYCLIHYHF-LFIBNONCSA-NSynonyms
2chloroN((1E)1(1(4methoxyphenyl)246trioxo13diazinan5ylidene)ethyl)benzohydrazide
2chloroN((1E)1(4hydroxy1(4methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)benzohydrazide
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NNC(=O)C3=CC=CC=C3Cl
COc1ccc(cc1)N1C(=O)N=C(C(=C(NNC(=O)c2ccccc2Cl)C)C1=O)O
InChI=1SC20H17ClN4O5c111(232417(26)14534615(14)21)1618(27)2220(29)25(19(16)28)127913(302)10812h31023H12H3(H2426)(H222729)b1611+
MFCD07797603
ZINC000017043292
ZINC17043292
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