Vitas-M small molecule compound
methyl 2-{[({2-[2-(4-bromophenyl)-2-oxoethoxy]-2-oxoethyl}sulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate
Catalog ID
STK672510
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=O)CSCC(=O)OCC(=O)c1ccc(cc1)Br
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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 C21H17BrN2O6S2 MW 537.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O6S2/c1-29-20(28)13-4-7-15-17(8-13)32-21(23-15)24-18(26)10-31-11-19(27)30-9-16(25)12-2-5-14(22)6-3-12/h2-8H,9-11H2,1H3,(H,23,24,26)InChIKey
ZXLSVQBXTCKCHN-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)OCC(=O)C3=CC=C(C=C3)Br
InChI=1SC21H17BrN2O6S2c12920(28)13471517(813)3221(2315)2418(26)10311119(27)30916(25)122514(22)6312h28H911H21H3(H232426)
methyl2((((2(2(4bromophenyl)2oxoethoxy)2oxoethyl)sulfanyl)acetyl)amino)13benzothiazole6carboxylate
METHYL2((2(2(2(4BROMOPHENYL)2OXOETHOXY)2OXOETHYL)SULFANYLACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
MFCD00824410
ZINC000003117197
ZINC3117197
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