Vitas-M small molecule compound
(2E)-3-(3,5-dibromo-2-methoxyphenyl)-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK206530
SMILES COc1c(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(cc1Br)Br
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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 C21H21Br2N3O3S MW 555.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Br2N3O3S/c1-28-20-14(12-15(22)13-16(20)23)6-7-19(27)25-21(30)24-17-4-2-3-5-18(17)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H2,24,25,27,30)/b7-6+InChIKey
JEPOBOCUBITOPW-VOTSOKGWSA-NSynonyms
(2E)3(35DIBROMO2METHOXYPHENYL)N((2(MORPHOLIN4YL)PHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(35dibromo2methoxyphenyl)N((2morpholin4ylphenyl)carbamothioyl)prop2enamide
COC1=C(C=C(C=C1C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)Br)Br
COc1c(C=CC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(cc1Br)Br
InChI=1SC21H21Br2N3O3Sc1282014(1215(22)1316(20)23)6719(27)2521(30)2417423518(17)268102911926h271213H811H21H3(H224252730)b76+
MFCD03562701
ZINC000097961117
ZINC97961117
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