Vitas-M small molecule compound
2-chloro-5-{[(E)-(1-ethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
Catalog ID
STL372527
SMILES CCN1C(=O)NC(=O)/C(=C\Nc2ccc(c(c2)C(=O)O)Cl)/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 C14H12ClN3O5 MW 337.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN3O5/c1-2-18-12(20)9(11(19)17-14(18)23)6-16-7-3-4-10(15)8(5-7)13(21)22/h3-6,16H,2H2,1H3,(H,21,22)(H,17,19,23)/b9-6+InChIKey
VGVGNGKOXKKXKF-RMKNXTFCSA-NSynonyms
2CHLORO5(((E)(1ETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
2chloro5(((E)(1ethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
CCN1C(=O)C(=CNC2=CC(=C(C=C2)Cl)C(=O)O)C(=O)NC1=O
CCN1C(=O)NC(=O)C(=CNc2ccc(c(c2)C(=O)O)Cl)C1=O
InChI=1SC14H12ClN3O5c121812(20)9(11(19)1714(18)23)61673410(15)8(57)13(21)22h3616H2H21H3(H2122)(H171923)b96+
MFCD03994678
ZINC000020254741
ZINC20254741
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