Vitas-M small molecule compound
dimethyl 5-{[(2Z,5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzene-1,3-dicarboxylate
Catalog ID
STK383479
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)/N=C/1\S/C(=c/2\sc3c(n2CC)cccc3)/C(=O)N1C1CCCCC1
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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 C28H29N3O5S2 MW 551.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5S2/c1-4-30-21-12-8-9-13-22(21)37-25(30)23-24(32)31(20-10-6-5-7-11-20)28(38-23)29-19-15-17(26(33)35-2)14-18(16-19)27(34)36-3/h8-9,12-16,20H,4-7,10-11H2,1-3H3/b25-23-,29-28-InChIKey
WEDCUSPWZNHTQY-WNIXFEBLSA-NSynonyms
COC(=O)c1cc(cc(c1)C(=O)OC)N=C1SC(=c2sc3c(n2CC)cccc3)C(=O)N1C1CCCCC1
dimethyl5(((2Z5Z)3cyclohexyl5(3ethyl13benzothiazol2(3H)ylidene)4oxo13thiazolidin2ylidene)amino)benzene13dicarboxylate
MFCD03648688
ZINC000102153584
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