Vitas-M small molecule compound
ethyl 4-(3-chlorobenzyl)-5-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxylate
Catalog ID
STK645272
SMILES CCOC(=O)c1c(C)[nH]c(c1Cc1cccc(c1)Cl)/C=C/1\C(=NC(=NC1=O)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 C20H18ClN3O5 MW 415.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O5/c1-3-29-19(27)16-10(2)22-15(9-14-17(25)23-20(28)24-18(14)26)13(16)8-11-5-4-6-12(21)7-11/h4-7,9,22H,3,8H2,1-2H3,(H2,23,24,25,26,28)InChIKey
RXJUFKRBAOWAIU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=C3C(=O)NC(=O)NC3=O)C
CCOC(=O)c1c(C)(nH)c(c1Cc1cccc(c1)Cl)C=C1C(=NC(=NC1=O)O)O
ETHYL4((3CHLOROPHENYL)METHYL)2METHYL5((246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PYRROLE3CARBOXYLATE
ethyl4((3chlorophenyl)methyl)2methyl5((246trioxo13diazinan5ylidene)methyl)1Hpyrrole3carboxylate
ethyl4(3chlorobenzyl)5((E)(26dihydroxy4oxopyrimidin5(4H)ylidene)methyl)2methyl1Hpyrrole3carboxylate
InChI=1SC20H18ClN3O5c132919(27)1610(2)2215(91417(25)2320(28)2418(14)26)13(16)81154612(21)711h47922H38H212H3(H22324252628)
MFCD09796273
ZINC000011690113
ZINC11690113
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