Vitas-M small molecule compound
(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-N-(prop-2-en-1-yl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STL509181
SMILES C=CCNC(=S)N1N=C2C(C1c1ccc(cc1)OCC)CCC/C/2=C\c1ccc(cc1)OCC
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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 C28H33N3O2S MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O2S/c1-4-18-29-28(34)31-27(21-12-16-24(17-13-21)33-6-3)25-9-7-8-22(26(25)30-31)19-20-10-14-23(15-11-20)32-5-2/h4,10-17,19,25,27H,1,5-9,18H2,2-3H3,(H,29,34)/b22-19+InChIKey
FELHUDYOWHQPBO-ZBJSNUHESA-NSynonyms
(7~(E))3(4ethoxyphenyl)7((4ethoxyphenyl)methylidene)~(N)prop2enyl3~(a)456tetrahydro3~(H)indazole2carbothioamide
(7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)NPROP2ENYL3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
(7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)N(prop2en1yl)33a4567hexahydro2Hindazole2carbothioamide
5885798
InChI=1SC28H33N3O2Sc14182928(34)3127(21121624(171321)3363)2597822(26(25)3031)1920101423(151120)3252h41017192527H15918H223H3(H2934)b2219+
MFCD03489683
ZINC000013302020
ZINC000013302027
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