Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK567697
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
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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 C30H26N2O7S MW 558.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O7S/c1-3-12-37-19-7-4-17(5-8-19)26-25(27(33)18-6-11-22-23(15-18)39-14-13-38-22)28(34)29(35)32(26)30-31-21-10-9-20(36-2)16-24(21)40-30/h4-11,15-16,26,33H,3,12-14H2,1-2H3/b27-25+InChIKey
RVHBXHZTVNQCNK-IMVLJIQESA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)5(4propoxyphenyl)pyrrolidine23dione
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC30H26N2O7Sc131237197417(5819)2625(27(33)186112223(1518)3914133822)28(34)29(35)32(26)30312110920(362)1624(21)4030h41115162633H31214H212H3b2725+
MFCD07202661
ZINC000102651757
ZINC000102651759
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