Vitas-M small molecule compound

(3-{(Z)-[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STK698377
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1cccc(c1)OCC(=O)O)/s2

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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 C25H21FN2O6S MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-7-9-17(26)10-8-16)23(31)19(35-25)12-15-5-4-6-18(11-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12-
InChIKey
GYDVITGTHKSDSO-UNOMPAQXSA-N
Synonyms

(3((6(ETHOXYCARBONYL)5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)PHENOXY)ACETICACID
(3((Z)(6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)phenoxy)aceticacid
(E)2(3((6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)phenoxy)aceticacid
2(3((Z)(6ETHOXYCARBONYL5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1cccc(c1)OCC(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC(=CC=C4)OCC(=O)O)S2)C
InChI=1SC25H21FN2O6Sc133324(32)2114(2)272528(22(21)167917(26)10816)23(31)19(3525)121554618(1115)341320(29)30h41222H313H212H3(H2930)b1912
MFCD02951656
ZINC000002049528
ZINC000002049530

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Available files

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