Vitas-M small molecule compound
(2E)-3-(3,5-dibromo-2-methoxyphenyl)-N-(tricyclo[3.3.1.1~3,7~]dec-2-ylcarbamothioyl)prop-2-enamide
Catalog ID
STK295416
SMILES COc1c(/C=C/C(=O)NC(=S)NC2C3CC4CC2CC(C3)C4)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 C21H24Br2N2O2S MW 528.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24Br2N2O2S/c1-27-20-13(9-16(22)10-17(20)23)2-3-18(26)24-21(28)25-19-14-5-11-4-12(7-14)8-15(19)6-11/h2-3,9-12,14-15,19H,4-8H2,1H3,(H2,24,25,26,28)/b3-2+InChIKey
KQUHELDOOJFIKF-NSCUHMNNSA-NSynonyms
(2E)3(35dibromo2methoxyphenyl)N(tricyclo(3311~37~)dec2ylcarbamothioyl)prop2enamide
(E)N(2ADAMANTYLCARBAMOTHIOYL)3(35DIBROMO2METHOXYPHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1C=CC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Br)Br
COc1c(C=CC(=O)NC(=S)NC2C3CC4CC2CC(C3)C4)cc(cc1Br)Br
InChI=1SC21H24Br2N2O2Sc1272013(916(22)1017(20)23)2318(26)2421(28)251914511412(714)815(19)611h23912141519H48H21H3(H224252628)b32+
MFCD03926059
ZINC000097961823
ZINC97961823
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