Vitas-M small molecule compound
2-(butylsulfanyl)-3-cyclohexyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK044036
SMILES CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)(C)C
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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 C21H30N2O2S2 MW 406.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O2S2/c1-4-5-11-26-20-22-18-17(15-12-21(2,3)25-13-16(15)27-18)19(24)23(20)14-9-7-6-8-10-14/h14H,4-13H2,1-3H3InChIKey
QZANBWKGBCLGOK-UHFFFAOYSA-NSynonyms
330180-45-52(butylsulfanyl)3cyclohexyl66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(butylthio)3cyclohexyl66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2butylsulfanyl3cyclohexyl66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
330180455
CCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4CCCCC4
CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)(C)C
InChI=1SC21H30N2O2S2c145112620221817(151221(23)251316(15)2718)19(24)23(20)1497681014h14H413H213H3
MFCD01558133
STK044036
ZINC000002217732
ZINC02217732
ZINC2217732
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