Vitas-M small molecule compound
(2E)-3-(5-bromo-2-methoxyphenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide
Catalog ID
STL355722
SMILES COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1ccc(cn1)I)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 C16H13BrIN3O2S MW 518.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrIN3O2S/c1-23-13-5-3-11(17)8-10(13)2-7-15(22)21-16(24)20-14-6-4-12(18)9-19-14/h2-9H,1H3,(H2,19,20,21,22,24)/b7-2+InChIKey
NKIRHKCNAOJFOI-FARCUNLSSA-NSynonyms
530128-55-3(2E)3(5bromo2methoxyphenyl)N((5iodopyridin2yl)carbamothioyl)prop2enamide
(E)3(5bromo2methoxyphenyl)N((5iodopyridin2yl)carbamothioyl)acrylamide
(E)3(5BROMO2METHOXYPHENYL)N((5IODOPYRIDIN2YL)CARBAMOTHIOYL)PROP2ENAMIDE
530128553
COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=NC=C(C=C2)I
COc1ccc(cc1C=CC(=O)NC(=S)Nc1ccc(cn1)I)Br
InChI=1SC16H13BrIN3O2Sc123135311(17)810(13)2715(22)2116(24)20146412(18)91914h29H1H3(H21920212224)b72+
MFCD03563779
ZINC000002230988
ZINC2230988
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