Vitas-M small molecule compound
N-(3,5-dimethoxyphenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093603
SMILES COc1cc(NC(=O)CSc2nc3cc([nH]c3c(=O)n2CCC(C)C)C)cc(c1)OC
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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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-13(2)6-7-26-21(28)20-18(8-14(3)23-20)25-22(26)31-12-19(27)24-15-9-16(29-4)11-17(10-15)30-5/h8-11,13,23H,6-7,12H2,1-5H3,(H,24,27)InChIKey
LQCZUIUMJIAXDB-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC(=C3)OC)OC)CCC(C)C
COc1cc(NC(=O)CSc2nc3cc((nH)c3c(=O)n2CCC(C)C)C)cc(c1)OC
InChI=1SC22H28N4O4Sc113(2)672621(28)2018(814(3)2320)2522(26)311219(27)2415916(294)1117(1015)305h8111323H6712H215H3(H2427)
MFCD18787737
N(35dimethoxyphenyl)2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(35dimethoxyphenyl)2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067238097
ZINC67238097
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