Vitas-M small molecule compound
methyl 2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK898785
SMILES COC(=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 C14H10N4O5S MW 346.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N4O5S/c1-23-12(21)6-2-3-8-9(4-6)24-14(16-8)15-5-7-10(19)17-13(22)18-11(7)20/h2-5H,1H3,(H,15,16)(H2,17,18,19,20,22)InChIKey
MKCTWYHGMICCHB-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C3C(=O)NC(=O)NC3=O
InChI=1SC14H10N4O5Sc12312(21)62389(46)2414(168)155710(19)1713(22)1811(7)20h25H1H3(H1516)(H21718192022)
methyl2(((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)13benzothiazole6carboxylate
methyl2((246trioxo13diazinan5ylidene)methylamino)13benzothiazole6carboxylate
MFCD18173152
ZINC000044827520
ZINC44827520
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