Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK569961
SMILES Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C32H21ClN2O6S MW 597.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H21ClN2O6S/c33-20-10-11-23-26(17-20)42-32(34-23)35-28(18-5-4-8-22(15-18)41-21-6-2-1-3-7-21)27(30(37)31(35)38)29(36)19-9-12-24-25(16-19)40-14-13-39-24/h1-12,15-17,28,36H,13-14H2/b29-27+InChIKey
PUNSBCOZYYCYSA-ORIPQNMZSA-NSynonyms
(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3phenoxyphenyl)pyrrolidine23dione
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC(=CC=C6)OC7=CC=CC=C7)O
Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)Oc1ccccc1
InChI=1SC32H21ClN2O6Sc332010112326(1720)4232(3423)3528(1854822(1518)41216213721)27(30(37)31(35)38)29(36)199122425(1619)4014133924h11215172836H1314H2b2927+
MFCD05738821
ZINC000102559884
ZINC000102559892
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