Vitas-M small molecule compound
2-chloro-4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL330581
SMILES CN1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)/C1=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 C19H16ClN3O5 MW 401.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O5/c1-9-6-11(7-14-16(24)21-19(28)22(3)17(14)25)10(2)23(9)12-4-5-13(18(26)27)15(20)8-12/h4-8H,1-3H3,(H,26,27)(H,21,24,28)/b14-7+InChIKey
XSQFPMLPMXKZOJ-VGOFMYFVSA-NSynonyms
(E)2chloro4(25dimethyl3((1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
2CHLORO4(25DIMETHYL3((E)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
2chloro4(25dimethyl3((E)(1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=O)N(C3=O)C
CN1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)C1=O
InChI=1SC19H16ClN3O5c19611(71416(24)2119(28)22(3)17(14)25)10(2)23(9)124513(18(26)27)15(20)812h48H13H3(H2627)(H212428)b147+
MFCD02629295
ZINC000020024849
ZINC20024849
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