Vitas-M small molecule compound
ethyl 2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK898786
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC=C1C(=O)NC(=O)NC1=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 C15H12N4O5S MW 360.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O5S/c1-2-24-13(22)7-3-4-9-10(5-7)25-15(17-9)16-6-8-11(20)18-14(23)19-12(8)21/h3-6H,2H2,1H3,(H,16,17)(H2,18,19,20,21,23)InChIKey
VJPJXJQYNURMBL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C3C(=O)NC(=O)NC3=O
ethyl2(((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)13benzothiazole6carboxylate
ethyl2((246trioxo13diazinan5ylidene)methylamino)13benzothiazole6carboxylate
InChI=1SC15H12N4O5Sc122413(22)734910(57)2515(179)166811(20)1814(23)1912(8)21h36H2H21H3(H1617)(H21819202123)
MFCD09039935
ZINC000013999602
ZINC13999602
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