Vitas-M small molecule compound
1-methylbicyclo[2.2.0]hex-2-yl [(6-methyl-5-methylidene-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate - propane (1:1)
Catalog ID
STK239267
SMILES O=C(OC1CC2C1(C)CC2)CSc1nnc(c(=C)[nH]1)C.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 C17H27N3O2S MW 337.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3O2S.C3H8/c1-8-9(2)16-17-13(15-8)20-7-12(18)19-11-6-10-4-5-14(10,11)3;1-3-2/h10-11H,1,4-7H2,2-3H3,(H,15,17);3H2,1-2H3InChIKey
AQKLHRWARORHNF-UHFFFAOYSA-NSynonyms
(4methyl3bicyclo(220)hexanyl)2((6methyl5methylidene2H124triazin3yl)sulfanyl)acetatepropane
1methylbicyclo(220)hex2yl((6methyl5methylidene45dihydro124triazin3yl)sulfanyl)acetatepropane(11)
CCCCC1=NNC(=NC1=C)SCC(=O)OC2CC3C2(CC3)C
InChI=1SC14H19N3O2SC3H8c189(2)161713(158)20712(18)19116104514(1011)3132h1011H147H223H3(H1517)3H212H3
MFCD08685292
O=C(OC1CC2C1(C)CC2)CSc1nnc(c(=C)(nH)1)CCCC
ZINC000009191451
ZINC000102963576
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