Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK578964
SMILES Clc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
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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 C25H19ClN2O6S MW 510.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O6S/c1-12-23(13(2)29)35-25(27-12)28-20(14-4-3-5-16(26)10-14)19(22(31)24(28)32)21(30)15-6-7-17-18(11-15)34-9-8-33-17/h3-7,10-11,20,30H,8-9H2,1-2H3/b21-19+InChIKey
KGCICHMIPZDVKM-XUTLUUPISA-NSynonyms
575462-72-5(4E)1(5acetyl4methyl13thiazol2yl)5(3chlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
575462725
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)Cl)C(=O)C
Clc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC25H19ClN2O6Sc11223(13(2)29)3525(2712)2820(1443516(26)1014)19(22(31)24(28)32)21(30)15671718(1115)34983317h3710112030H89H212H3b2119+
MFCD07208448
ZINC000102585371
ZINC000102585377
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