Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK771013
SMILES C=CCn1nnn(c1=S)[C@H]1CC(=O)[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 C10H12N4O3S MW 268.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12N4O3S/c1-2-3-13-10(18)14(12-11-13)6-4-7(15)9-16-5-8(6)17-9/h2,6,8-9H,1,3-5H2/t6-,8+,9+/m0/s1InChIKey
VUHUSUXCFSBHAC-NBEYISGCSA-NSynonyms
(1S2S5R)2(4(prop2en1yl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4prop2enyl5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
C=CCN1C(=S)N(N=N1)C2CC(=O)C3OCC2O3
C=CCn1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC10H12N4O3Sc1231310(18)14(121113)647(15)91658(6)179h2689H135H2t68+9+m0s1
MFCD13372170
ZINC000006659591
ZINC06659591
ZINC6659591
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