Vitas-M small molecule compound
(2Z)-2-{2-[5-(4-methylphenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide (non-preferred name)
Catalog ID
STK743573
SMILES NC(=S)N/N=C\1/CC(C2OC1OC2)n1nnnc1c1ccc(cc1)C
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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 C15H17N7O2S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N7O2S/c1-8-2-4-9(5-3-8)13-18-20-21-22(13)11-6-10(17-19-15(16)25)14-23-7-12(11)24-14/h2-5,11-12,14H,6-7H2,1H3,(H3,16,19,25)/b17-10-InChIKey
YYSSBGGIXORYLW-YVLHZVERSA-NSynonyms
((Z)(2(5(4METHYLPHENYL)TETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4YLIDENE)AMINO)THIOUREA
(2Z)2(2(5(4methylphenyl)1Htetrazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredname)
CC1=CC=C(C=C1)C2=NN=NN2C3CC(=NNC(=S)N)C4OCC3O4
InChI=1SC15H17N7O2Sc18249(538)1318202122(13)11610(171915(16)25)1423712(11)2414h25111214H67H21H3(H3161925)b1710
MFCD13371936
NC(=S)NN=C1CC(C2OC1OC2)n1nnnc1c1ccc(cc1)C
ZINC000107949398
ZINC000107949401
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