Vitas-M small molecule compound

ethyl (2Z)-2-{[5-(2-cyanophenyl)furan-2-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL164243
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1ccc(o1)c1ccccc1C#N)/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 C28H20FN3O4S MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN3O4S/c1-3-35-27(34)24-16(2)31-28-32(25(24)17-8-10-19(29)11-9-17)26(33)23(37-28)14-20-12-13-22(36-20)21-7-5-4-6-18(21)15-30/h4-14,25H,3H2,1-2H3/b23-14-
InChIKey
UEHRRBNEGHUERN-UCQKPKSFSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(o1)c1ccccc1C#N)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5C#N)S2)C
ethyl(2Z)2((5(2cyanophenyl)furan2yl)methylidene)5(4fluorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5(2CYANOPHENYL)FURAN2YL)METHYLIDENE)5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H20FN3O4Sc133527(34)2416(2)312832(25(24)1781019(29)11917)26(33)23(3728)1420121322(3620)21754618(21)1530h41425H3H212H3b2314
MFCD02632115
ZINC000002139187
ZINC000002139193

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Available files

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