Vitas-M small molecule compound
(2E)-N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Catalog ID
STL387903
SMILES S=C(Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)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/c1-13-4-8-18-19(11-13)29-21(25-18)16-12-14(5-7-17(16)23)24-22(30)26-20(27)9-6-15-3-2-10-28-15/h2-12H,1H3,(H2,24,26,27,30)/b9-6+InChIKey
SSIORMWJTZUYQZ-RMKNXTFCSA-NSynonyms
(2E)N((4chloro3(6methyl13benzoxazol2yl)phenyl)carbamothioyl)3(furan2yl)prop2enamide
(E)N((4CHLORO3(6METHYL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=CO4)Cl
InChI=1SC22H16ClN3O3Sc113481819(1113)2921(2518)161214(5717(16)23)2422(30)2620(27)961532102815h212H1H3(H224262730)b96+
MFCD03138299
S=C(Nc1ccc(c(c1)c1nc2c(o1)cc(cc2)C)Cl)NC(=O)C=Cc1ccco1
ZINC000015856565
ZINC15856565
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