Vitas-M small molecule compound
3-({(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)benzoic acid
Catalog ID
STK563000
SMILES OC(=O)c1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-20(23)28)10-21-14-5-3-4-13(9-14)19(26)27/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-10+InChIKey
DUDOFWCTXZUFMF-MHWRWJLKSA-NSynonyms
3(((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
3(((E)(1(34dimethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoicacid
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC=CC(=C3)C(=O)O)C(=O)NC2=O)C
InChI=1SC20H17N3O5c1116715(812(11)2)2318(25)16(17(24)2220(23)28)10211453413(914)19(26)27h31021H12H3(H2627)(H222428)b1610+
MFCD04079164
OC(=O)c1cccc(c1)NC=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O
ZINC000006276067
ZINC6276067
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