Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-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
STL042007
SMILES CCCCOc1cccc(c1)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 C31H28N2O7S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O7S/c1-3-4-12-38-21-7-5-6-18(15-21)27-26(28(34)19-8-11-23-24(16-19)40-14-13-39-23)29(35)30(36)33(27)31-32-22-10-9-20(37-2)17-25(22)41-31/h5-11,15-17,27,34H,3-4,12-14H2,1-2H3/b28-26+InChIKey
BXSXQCURIGGYEQ-BYCLXTJYSA-NSynonyms
(4E)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC31H28N2O7Sc13412382175618(1521)2726(28(34)198112324(1619)4014133923)29(35)30(36)33(27)31322210920(372)1725(22)4131h51115172734H341214H212H3b2826+
MFCD07209749
ZINC000102868861
ZINC000102868864
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