Vitas-M small molecule compound
(2Z)-2-cyano-2-{5-hydroxy-7-[3-(trifluoromethyl)phenyl]-1,3-benzoxathiol-2-ylidene}ethanamide
Catalog ID
STL298628
SMILES N#C/C(=C\1/Sc2c(O1)c(cc(c2)O)c1cccc(c1)C(F)(F)F)/C(=O)N
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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 C17H9F3N2O3S MW 378.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9F3N2O3S/c18-17(19,20)9-3-1-2-8(4-9)11-5-10(23)6-13-14(11)25-16(26-13)12(7-21)15(22)24/h1-6,23H,(H2,22,24)/b16-12-InChIKey
XFGPKOXPBJOONA-VBKFSLOCSA-NSynonyms
497245-06-4(2Z)2CYANO2(5HYDROXY7(3(TRIFLUOROMETHYL)PHENYL)13BENZOXATHIOL2YLIDENE)ACETAMIDE
(2Z)2cyano2(5hydroxy7(3(trifluoromethyl)phenyl)13benzoxathiol2ylidene)ethanamide
(Z)2cyano2(5hydroxy7(3(trifluoromethyl)phenyl)benzo(d)(13)oxathiol2ylidene)acetamide
497245064
C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC3=C2OC(=C(C#N)C(=O)N)S3)O
InChI=1SC17H9F3N2O3Sc1817(1920)93128(49)11510(23)61314(11)2516(2613)12(721)15(22)24h1623H(H22224)b1612
MFCD03297940
N#CC(=C1Sc2c(O1)c(cc(c2)O)c1cccc(c1)C(F)(F)F)C(=O)N
ZINC000013595746
ZINC13595746
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