Vitas-M small molecule compound
methyl 2-{[({[(4,6-diphenylpyrimidin-2-yl)sulfanyl]acetyl}oxy)acetyl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK720085
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=O)COC(=O)CSc1nc(cc(n1)c1ccccc1)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 C29H22N4O5S2 MW 570.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O5S2/c1-37-27(36)20-12-13-21-24(14-20)40-29(30-21)33-25(34)16-38-26(35)17-39-28-31-22(18-8-4-2-5-9-18)15-23(32-28)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,30,33,34)InChIKey
SMGUBCZSNYCPQO-UHFFFAOYSA-NSynonyms
(N(6(METHOXYCARBONYL)BENZOTHIAZOL2YL)CARBAMOYL)METHYL2(46DIPHENYLPYRIMIDIN2YLTHIO)ACETATE
COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H22N4O5S2c13727(36)2012132124(1420)4029(3021)3325(34)163826(35)1739283122(188425918)1523(3228)19106371119h215H1617H21H3(H303334)
methyl2((((((46diphenylpyrimidin2yl)sulfanyl)acetyl)oxy)acetyl)amino)13benzothiazole6carboxylate
METHYL2((2(2(46DIPHENYLPYRIMIDIN2YL)SULFANYLACETYL)OXYACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
MFCD01572696
ZINC000003668532
ZINC3668532
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