Vitas-M small molecule compound
(2E)-N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Catalog ID
STK184499
SMILES COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-28-18-7-4-13(11-16(18)23)21-25-17-12-14(5-8-19(17)30-21)24-22(31)26-20(27)9-6-15-3-2-10-29-15/h2-12H,1H3,(H2,24,26,27,31)/b9-6+InChIKey
XALPWOVXLRZXPC-RMKNXTFCSA-NSynonyms
(2E)N((2(3CHLORO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
(E)N((2(3CHLORO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=CO4)Cl
COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)C=Cc1ccco1
InChI=1SC22H16ClN3O4Sc128187413(1116(18)23)2125171214(5819(17)3021)2422(31)2620(27)961532102915h212H1H3(H224262731)b96+
MFCD03137969
ZINC000001180740
ZINC01180740
ZINC1180740
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