Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL056355
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O
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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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-3-36-19-9-10-20-23(15-19)39-29(30-20)31-25(16-4-7-18(35-2)8-5-16)24(27(33)28(31)34)26(32)17-6-11-21-22(14-17)38-13-12-37-21/h4-11,14-15,25,32H,3,12-13H2,1-2H3/b26-24+InChIKey
OAECDOKJNVCFPT-SHHOIMCASA-NSynonyms
573669-69-9(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(4methoxyphenyl)pyrrolidine23dione
573669699
CCOC1=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)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)OC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC29H24N2O7Sc1336199102023(1519)3929(3020)3125(164718(352)8516)24(27(33)28(31)34)26(32)176112122(1417)3813123721h41114152532H31213H212H3b2624+
MFCD05737276
ZINC000102895504
ZINC000102895505
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