Vitas-M small molecule compound

ethyl 4-[8-(4-methoxyphenyl)-2,5,7-trioxo-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate

Catalog ID
STK966482
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)Sc1c(C2c2ccc(cc2)OC)sc(=O)[nH]1

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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 C24H20N2O6S2 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O6S2/c1-3-32-23(29)13-4-8-14(9-5-13)26-21(27)17-16(12-6-10-15(31-2)11-7-12)18-20(25-24(30)34-18)33-19(17)22(26)28/h4-11,16-17,19H,3H2,1-2H3,(H,25,30)
InChIKey
ISLCBIFKGNHYLJ-UHFFFAOYSA-N
Synonyms
1005270-18-7
1005270187
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C4=C(NC(=O)S4)SC3C2=O)C5=CC=C(C=C5)OC
CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)Sc1c(C2c2ccc(cc2)OC)sc(=O)(nH)1
ethyl4(8(4methoxyphenyl)257trioxo234a57a8hexahydropyrrolo(3456)thiopyrano(23d)thiazol6(7H)yl)benzoate
ethyl4(8(4methoxyphenyl)257trioxo34a577a8hexahydropyrrolo(3456)thiopyrano(23d)(13)thiazol6(2H)yl)benzoate
ethyl4(8(4methoxyphenyl)257trioxo34a7a8tetrahydropyrrolo(23)thiopyrano(45b)(13)thiazol6yl)benzoate
InChI=1SC24H20N2O6S2c133223(29)134814(9513)2621(27)1716(1261015(312)11712)1820(2524(30)3418)3319(17)22(26)28h411161719H3H212H3(H2530)
MFCD03618898
ZINC000101944743
ZINC000103856063

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.