Vitas-M small molecule compound
N-{[5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK245844
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1CNC(=O)c1ccccc1F
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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 C22H18FN5O2S MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O2S/c1-2-11-28-20(13-25-21(30)17-5-3-4-6-18(17)23)26-27-22(28)31-14-19(29)16-9-7-15(12-24)8-10-16/h2-10H,1,11,13-14H2,(H,25,30)InChIKey
HFPZRAKUSLETCS-UHFFFAOYSA-NSynonyms
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)CNC(=O)C3=CC=CC=C3F
InChI=1SC22H18FN5O2Sc12112820(132521(30)17534618(17)23)262722(28)311419(29)169715(1224)81016h210H1111314H2(H2530)
MFCD08670594
N((5((2(4CYANOPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N((5(2(4cyanophenyl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)methyl)2fluorobenzamide
N(4ALLYL5(2(4CYANOPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000009328226
ZINC09328226
ZINC9328226
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