Vitas-M small molecule compound
pentyl {[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK996275
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)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 C22H30N2O4S2 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4S2/c1-6-7-8-9-27-17(25)13-29-21-23-19-18(20(26)24(21)11-14(2)3)15-10-22(4,5)28-12-16(15)30-19/h2,6-13H2,1,3-5H3InChIKey
YXVOROLDWVHWNQ-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC(=C)C
InChI=1SC22H30N2O4S2c167892717(25)132921231918(20(26)24(21)1114(2)3)151022(45)281216(15)3019h2613H2135H3
MFCD01807016
pentyl((66dimethyl3(2methylprop2en1yl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((66dimethyl3(2methylprop2enyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ZINC000002183043
ZINC02183043
ZINC2183043
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