Vitas-M small molecule compound
4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]benzoic acid
Catalog ID
STK175202
SMILES OC(=O)c1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)C
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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 C13H10N2O5 MW 274.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O5/c1-15-11(17)9(10(16)14-13(15)20)6-7-2-4-8(5-3-7)12(18)19/h2-6H,1H3,(H,18,19)(H,14,16,20)/b9-6+InChIKey
FOCATHRHRUAECA-RMKNXTFCSA-NSynonyms
5809-84-7(Z)4((1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)benzoicacid
4((E)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOICACID
4((E)(1METHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)BENZOICACID
5809847
CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)NC1=O
InChI=1SC13H10N2O5c11511(17)9(10(16)1413(15)20)67248(537)12(18)19h26H1H3(H1819)(H141620)b96+
MFCD01827907
OC(=O)c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)C
ZINC000000181853
ZINC181853
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