Vitas-M small molecule compound
(4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]-5-(3-methoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL047826
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C29H25FN2O5S MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O5S/c1-4-13-37-21-12-9-18(14-22(21)36-3)25-24(26(33)17-7-5-16(2)6-8-17)27(34)28(35)32(25)29-31-20-11-10-19(30)15-23(20)38-29/h5-12,14-15,25,33H,4,13H2,1-3H3/b26-24+InChIKey
XSMITCPEGHSZMY-SHHOIMCASA-NSynonyms
514190-22-8(4E)1(6fluoro13benzothiazol2yl)4(hydroxy(4methylphenyl)methylidene)5(3methoxy4propoxyphenyl)pyrrolidine23dione
1(6FLUOROBENZOTHIAZOL2YL)3HYDROXY5(3METHOXY4PROPOXYPHENYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
514190228
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC29H25FN2O5Sc1413372112918(1422(21)363)2524(26(33)177516(2)6817)27(34)28(35)32(25)293120111019(30)1523(20)3829h51214152533H413H213H3b2624+
MFCD03802961
ZINC000102883992
ZINC000102883995
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