Vitas-M small molecule compound
N-(2,3-dimethoxybenzyl)-2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL103847
SMILES COc1c(cccc1OC)CNC(=O)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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-13(2)11-26-21(28)19-16(9-14(3)24-19)25-22(26)31-12-18(27)23-10-15-7-6-8-17(29-4)20(15)30-5/h6-9,13,24H,10-12H2,1-5H3,(H,23,27)InChIKey
QRKZOSUBYNIAOR-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=C(C(=CC=C3)OC)OC)CC(C)C
COc1c(cccc1OC)CNC(=O)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C
InChI=1SC22H28N4O4Sc113(2)112621(28)1916(914(3)2419)2522(26)311218(27)23101576817(294)20(15)305h691324H1012H215H3(H2327)
MFCD20735449
N((23dimethoxyphenyl)methyl)2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(23dimethoxybenzyl)2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067237795
ZINC67237795
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