Vitas-M small molecule compound
(2E)-2-cyano-3-{2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)phenyl}prop-2-enethioamide
Catalog ID
STL376660
SMILES N#C/C(=C\c1ccc(cc1OCc1ccc(cc1Cl)Cl)N(CC)CC)/C(=S)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 C21H21Cl2N3OS MW 434.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3OS/c1-3-26(4-2)18-8-6-14(9-16(12-24)21(25)28)20(11-18)27-13-15-5-7-17(22)10-19(15)23/h5-11H,3-4,13H2,1-2H3,(H2,25,28)/b16-9+InChIKey
QFJVYJXNKDXRBU-CXUHLZMHSA-NSynonyms
(2E)2cyano3(2((24dichlorobenzyl)oxy)4(diethylamino)phenyl)prop2enethioamide
(E)2CYANO3(2((24DICHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)PROP2ENETHIOAMIDE
CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=S)N)OCC2=C(C=C(C=C2)Cl)Cl
InChI=1SC21H21Cl2N3OSc1326(42)188614(916(1224)21(25)28)20(1118)2713155717(22)1019(15)23h511H3413H212H3(H22528)b169+
MFCD06631863
N#CC(=Cc1ccc(cc1OCc1ccc(cc1Cl)Cl)N(CC)CC)C(=S)N
ZINC000002886679
ZINC02886679
ZINC2886679
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