Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(prop-2-en-1-yl)-3-(thiophen-2-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK768483
SMILES C=CCn1c(nn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)c1cccs1
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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 C15H15N3O3S2 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O3S2/c1-2-5-17-13(12-4-3-6-23-12)16-18(15(17)22)9-7-10(19)14-20-8-11(9)21-14/h2-4,6,9,11,14H,1,5,7-8H2/t9-,11+,14+/m0/s1InChIKey
DBLFEAPCEZCRGX-DRCTWCGVSA-NSynonyms
(1S2S5R)2(4(prop2en1yl)3(thiophen2yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4PROP2ENYL5SULFANYLIDENE3THIOPHEN2YL124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
C=CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CC=CS4
C=CCn1c(nn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)c1cccs1
InChI=1SC15H15N3O3S2c1251713(124362312)1618(15(17)22)9710(19)1420811(9)2114h24691114H1578H2t911+14+m0s1
MFCD13372143
ZINC000001089957
ZINC01089957
ZINC1089957
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