Vitas-M small molecule compound
2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STL093529
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1nc2cc([nH]c2c(=O)n1CC(C)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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-12(2)10-26-21(28)20-17(9-16(6)23-20)24-22(26)29-11-18(27)25-19-14(4)7-13(3)8-15(19)5/h7-9,12,23H,10-11H2,1-6H3,(H,25,27)InChIKey
GAJBFNFCHSFGFM-UHFFFAOYSA-NSynonyms
2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(C(=O)N2CC(C)C)NC(=C3)C)C
InChI=1SC22H28N4O2Sc112(2)102621(28)2017(916(6)2320)2422(26)291118(27)251914(4)713(3)815(19)5h791223H1011H216H3(H2527)
MFCD18787663
O=C(Nc1c(C)cc(cc1C)C)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C
ZINC000067237713
ZINC67237713
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