Vitas-M small molecule compound
(2E)-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Catalog ID
STK393575
SMILES S=C(Nc1cccc(c1C)c1nc2c(o1)ccc(c2)Cl)NC(=O)/C=C/c1ccco1
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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 C22H16ClN3O3S MW 437.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O3S/c1-13-16(21-24-18-12-14(23)7-9-19(18)29-21)5-2-6-17(13)25-22(30)26-20(27)10-8-15-4-3-11-28-15/h2-12H,1H3,(H2,25,26,27,30)/b10-8+InChIKey
XVNINMNCPHNHKG-CSKARUKUSA-NSynonyms
(2E)N(((3(5CHLOROBENZOXAZOL2YL)2METHYLPHENYL)AMINO)THIOXOMETHYL)3(2FURYL)PROP2ENAMIDE
(2E)N((3(5chloro13benzoxazol2yl)2methylphenyl)carbamothioyl)3(furan2yl)prop2enamide
(E)N((3(5CHLORO13BENZOXAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=CO2)C3=NC4=C(O3)C=CC(=C4)Cl
InChI=1SC22H16ClN3O3Sc11316(2124181214(23)7919(18)2921)52617(13)2522(30)2620(27)1081543112815h212H1H3(H225262730)b108+
MFCD03037527
S=C(Nc1cccc(c1C)c1nc2c(o1)ccc(c2)Cl)NC(=O)C=Cc1ccco1
ZINC000001181079
ZINC01181079
ZINC1181079
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