Vitas-M small molecule compound
methyl 2-({[(6-hydroxy-4-oxo-5-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-benzothiazole-6-carboxylate
Catalog ID
STK229053
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=O)CSc1[nH]c(O)c(c(=O)n1)c1ccccc1
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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 C21H16N4O5S2 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5S2/c1-30-19(29)12-7-8-13-14(9-12)32-21(22-13)23-15(26)10-31-20-24-17(27)16(18(28)25-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23,26)(H2,24,25,27,28)InChIKey
FNAKHDWBCICHTN-UHFFFAOYSA-NSynonyms
693253-99-5693253995
COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O
COC(=O)c1ccc2c(c1)sc(n2)NC(=O)CSc1(nH)c(O)c(c(=O)n1)c1ccccc1
InChI=1SC21H16N4O5S2c13019(29)12781314(912)3221(2213)2315(26)1031202417(27)16(18(28)2520)115324611h29H10H21H3(H222326)(H224252728)
METHYL2((((6HYDROXY4OXO5PHENYL14DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
METHYL2((2((4HYDROXY6OXO5PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
MFCD08673364
ZINC000002836877
ZINC2836877
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