Vitas-M small molecule compound

(2Z)-2-{(1S,2S,5R)-2-[4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide (non-preferred name)

Catalog ID
STK780233
SMILES COc1ccccc1n1nnn(c1=S)[C@H]1C/C(=N/NC(=S)N)/[C@H]2O[C@@H]1CO2

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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 C15H17N7O3S2 MW 407.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N7O3S2/c1-23-11-5-3-2-4-9(11)21-15(27)22(20-19-21)10-6-8(17-18-14(16)26)13-24-7-12(10)25-13/h2-5,10,12-13H,6-7H2,1H3,(H3,16,18,26)/b17-8-/t10-,12+,13+/m0/s1
InChIKey
DQIGEFSYPZIJCC-UBVMRAQWSA-N
Synonyms

((Z)((1S2S5R)2(4(2methoxyphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4ylidene)amino)thiourea
(2Z)2((1S2S5R)2(4(2methoxyphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredname)
COC1=CC=CC=C1N2C(=S)N(N=N2)C3CC(=NNC(=S)N)C4OCC3O4
COc1ccccc1n1nnn(c1=S)(C@H)1CC(=NNC(=S)N)(C@H)2O(C@@H)1CO2
InChI=1SC15H17N7O3S2c1231153249(11)2115(27)22(201921)1068(171814(16)26)1324712(10)2513h25101213H67H21H3(H3161826)b178t1012+13+m0s1
MFCD13372218
ZINC000012371797
ZINC96602919

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Available files

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