Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL054579
SMILES CCOc1ccc(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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-3-36-18-7-4-16(5-8-18)25-24(26(32)17-6-11-21-22(14-17)38-13-12-37-21)27(33)28(34)31(25)29-30-20-10-9-19(35-2)15-23(20)39-29/h4-11,14-15,25,32H,3,12-13H2,1-2H3/b26-24+InChIKey
GPZUMBYBKUHHCP-SHHOIMCASA-NSynonyms
618856-84-1(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethoxyphenyl)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618856841
CCOC1=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
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC29H24N2O7Sc1336187416(5818)2524(26(32)176112122(1417)3813123721)27(33)28(34)31(25)29302010919(352)1523(20)3929h41114152532H31213H212H3b2624+
MFCD07205236
ZINC000102893897
ZINC000102893899
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