Vitas-M small molecule compound
(4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL047888
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)Cl)Cl
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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 C27H18Cl2N2O6S MW 569.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2N2O6S/c1-35-15-4-6-18-21(12-15)38-27(30-18)31-23(13-2-5-16(28)17(29)10-13)22(25(33)26(31)34)24(32)14-3-7-19-20(11-14)37-9-8-36-19/h2-7,10-12,23,32H,8-9H2,1H3/b24-22+InChIKey
CVMXMKXZPBYRQR-ZNTNEXAZSA-NSynonyms
(4E)5(34dichlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)Cl)Cl
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)Cl)Cl
InChI=1SC27H18Cl2N2O6Sc13515461821(1215)3827(3018)3123(132516(28)17(29)1013)22(25(33)26(31)34)24(32)14371920(1114)37983619h2710122332H89H21H3b2422+
MFCD07211356
ZINC000102883967
ZINC000102883969
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