Vitas-M small molecule compound

(1S,2S,5R)-2-[4-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)

Catalog ID
STK784136
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1cccnc1

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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 C12H11N5O3S MW 305.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O3S/c18-9-4-8(10-6-19-11(9)20-10)17-12(21)16(14-15-17)7-2-1-3-13-5-7/h1-3,5,8,10-11H,4,6H2/t8-,10+,11+/m0/s1
InChIKey
LIOJSDDZKFHIEH-JMJZKYOTSA-N
Synonyms

(1S2S5R)2(4(pyridin3yl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4pyridin3yl5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CN=CC=C4
InChI=1SC12H11N5O3Sc18948(1061911(9)2010)1712(21)16(141517)72131357h13581011H46H2t810+11+m0s1
MFCD13372242
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1cccnc1
ZINC000006658570
ZINC06658570
ZINC6658570

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Available files

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