Vitas-M small molecule compound

(2E)-3-(4-bromophenyl)-N-[(2-methoxydibenzo[b,d]furan-3-yl)carbamothioyl]prop-2-enamide

Catalog ID
STK776687
SMILES COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1ccc(cc1)Br)oc1c2cccc1

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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 C23H17BrN2O3S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O3S/c1-28-21-12-17-16-4-2-3-5-19(16)29-20(17)13-18(21)25-23(30)26-22(27)11-8-14-6-9-15(24)10-7-14/h2-13H,1H3,(H2,25,26,27,30)/b11-8+
InChIKey
UCTAOPBJIXZXKY-DHZHZOJOSA-N
Synonyms
695205-52-8
(2E)3(4BROMOPHENYL)N((2METHOXYDIBENZO(BD)FURAN3YL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(4bromophenyl)N((2methoxydibenzo(bd)furan3yl)carbamothioyl)acrylamide
(E)3(4BROMOPHENYL)N((2METHOXYDIBENZOFURAN3YL)CARBAMOTHIOYL)PROP2ENAMIDE
695205528
COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC(=O)C=CC4=CC=C(C=C4)Br
COc1cc2c(cc1NC(=S)NC(=O)C=Cc1ccc(cc1)Br)oc1c2cccc1
InChI=1SC23H17BrN2O3Sc12821121716423519(16)2920(17)1318(21)2523(30)2622(27)118146915(24)10714h213H1H3(H225262730)b118+
MFCD03679294
ZINC000002225762
ZINC02225762
ZINC2225762

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.