Vitas-M small molecule compound
(2E)-2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]oct-3-ylidene]hydrazinecarbothioamide
Catalog ID
STK684097
SMILES NC(=S)N/N=C/1\C2CCN(\C1=C\c1ccc3c(c1)OCO3)CC2
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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 C16H18N4O2S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S/c17-16(23)19-18-15-11-3-5-20(6-4-11)12(15)7-10-1-2-13-14(8-10)22-9-21-13/h1-2,7-8,11H,3-6,9H2,(H3,17,19,23)/b12-7+,18-15+InChIKey
BLBFHDPHMUHZQK-ABBMGPDFSA-NSynonyms
((E)((2E)2(13benzodioxol5ylmethylidene)1azabicyclo(222)octan3ylidene)amino)thiourea
(2E)2((2E)2(13benzodioxol5ylmethylidene)1azabicyclo(222)oct3ylidene)hydrazinecarbothioamide
C1CN2CCC1C(=NNC(=S)N)C2=CC3=CC4=C(C=C3)OCO4
InChI=1SC16H18N4O2Sc1716(23)191815113520(6411)12(15)710121314(810)2292113h127811H369H2(H3171923)b127+1815+
MFCD05259608
NC(=S)NN=C1C2CCN(C1=Cc1ccc3c(c1)OCO3)CC2
ZINC000038818967
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