Vitas-M small molecule compound
(2Z)-2-{(1S,2S,5R)-2-[4-(4-iodophenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide (non-preferred name)
Catalog ID
STK782397
SMILES NC(=S)N/N=C\1/C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1ccc(cc1)I
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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 C14H14IN7O2S2 MW 503.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14IN7O2S2/c15-7-1-3-8(4-2-7)21-14(26)22(20-19-21)10-5-9(17-18-13(16)25)12-23-6-11(10)24-12/h1-4,10-12H,5-6H2,(H3,16,18,25)/b17-9-/t10-,11+,12+/m0/s1InChIKey
QDTVQLDYBGUGBU-MAFDSLFASA-NSynonyms
((Z)((1S2S5R)2(4(4iodophenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4ylidene)amino)thiourea
(2Z)2((1S2S5R)2(4(4iodophenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredname)
C1C(C2COC(C1=NNC(=S)N)O2)N3C(=S)N(N=N3)C4=CC=C(C=C4)I
InChI=1SC14H14IN7O2S2c157138(427)2114(26)22(201921)1059(171813(16)25)1223611(10)2412h141012H56H2(H3161825)b179t1011+12+m0s1
MFCD13372229
NC(=S)NN=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1ccc(cc1)I
ZINC000012374773
ZINC96602939
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