Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK575269
SMILES CCOc1cccc(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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-3-36-19-6-4-5-16(13-19)25-24(26(32)17-7-10-21-22(14-17)38-12-11-37-21)27(33)28(34)31(25)29-30-20-9-8-18(35-2)15-23(20)39-29/h4-10,13-15,25,32H,3,11-12H2,1-2H3/b26-24+InChIKey
IQGNABCAQPINJZ-SHHOIMCASA-NSynonyms
585549-45-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
585549457
CCOC1=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
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC29H24N2O7Sc13361964516(1319)2524(26(32)177102122(1417)3812113721)27(33)28(34)31(25)2930209818(352)1523(20)3929h41013152532H31112H212H3b2624+
MFCD07199429
ZINC000102661409
ZINC000102661412
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