Vitas-M small molecule compound
1-methylbicyclo[2.2.0]hex-2-yl [(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate - propane (1:1)
Catalog ID
STK239280
SMILES O=C(OC1CC2C1(C)CC2)CSc1nc(N)cc(=O)[nH]1.CCC
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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 C16H25N3O3S MW 339.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3S.C3H8/c1-13-3-2-7(13)4-8(13)19-11(18)6-20-12-15-9(14)5-10(17)16-12;1-3-2/h5,7-8H,2-4,6H2,1H3,(H3,14,15,16,17);3H2,1-2H3InChIKey
YUHCIGUHAAIOCF-UHFFFAOYSA-NSynonyms
(4methyl3bicyclo(220)hexanyl)2((6amino4oxo1Hpyrimidin2yl)sulfanyl)acetatepropane
1methylbicyclo(220)hex2yl((4amino6oxo16dihydropyrimidin2yl)sulfanyl)acetatepropane(11)
CCCCC12CCC1CC2OC(=O)CSC3=NC(=O)C=C(N3)N
InChI=1SC13H17N3O3SC3H8c113327(13)48(13)1911(18)62012159(14)510(17)1612132h578H246H21H3(H314151617)3H212H3
MFCD08685294
O=C(OC1CC2C1(C)CC2)CSc1nc(N)cc(=O)(nH)1CCC
ZINC000009191460
ZINC000253496338
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