Vitas-M small molecule compound

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

Catalog ID
STK774103
SMILES NC(=S)N/N=C/1\C[C@H]([C@H]2O[C@@H]1OC2)n1nnnc1c1ccccc1Cl

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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 C14H14ClN7O2S MW 379.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClN7O2S/c15-8-4-2-1-3-7(8)12-18-20-21-22(12)10-5-9(17-19-14(16)25)13-23-6-11(10)24-13/h1-4,10-11,13H,5-6H2,(H3,16,19,25)/b17-9+/t10-,11+,13+/m1/s1
InChIKey
YBDDQEKCHZFQOA-YUUJSWDPSA-N
Synonyms

((E)((1R2R5S)2(5(2chlorophenyl)tetrazol1yl)68dioxabicyclo(321)octan4ylidene)amino)thiourea
(2E)2((1R2R5S)2(5(2chlorophenyl)1Htetrazol1yl)68dioxabicyclo(321)oct4ylidene)hydrazinecarbothioamide(nonpreferredname)
C1C(C2COC(C1=NNC(=S)N)O2)N3C(=NN=N3)C4=CC=CC=C4Cl
InChI=1SC14H14ClN7O2Sc15842137(8)1218202122(12)1059(171914(16)25)1323611(10)2413h14101113H56H2(H3161925)b179+t1011+13+m1s1
MFCD13372188
NC(=S)NN=C1C(C@H)((C@H)2O(C@@H)1OC2)n1nnnc1c1ccccc1Cl
ZINC000004602382
ZINC36498902

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Available files

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