Vitas-M small molecule compound

(2-ethoxy-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetonitrile

Catalog ID
STK020118
SMILES N#CCOc1ccc(cc1OCC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F

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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 C21H16FN3O4S MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O4S/c1-2-28-18-12-13(3-8-17(18)29-10-9-23)11-16-19(26)24-21(30)25(20(16)27)15-6-4-14(22)5-7-15/h3-8,11-12H,2,10H2,1H3,(H,24,26,30)/b16-11-
InChIKey
HDZAXVFPSLGCEJ-WJDWOHSUSA-N
Synonyms

(2ETHOXY4((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETONITRILE
2(2ethoxy4((Z)(1(4fluorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)acetonitrile
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OCC#N
InChI=1SC21H16FN3O4Sc1228181213(3817(18)2910923)111619(26)2421(30)25(20(16)27)156414(22)5715h381112H210H21H3(H242630)b1611
MFCD03228508
N#CCOc1ccc(cc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
STK020118
ZINC000009057112
ZINC09057112
ZINC9057112

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Available files

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