Vitas-M small molecule compound
N-(2,5-dimethoxyphenyl)-2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093520
SMILES COc1ccc(cc1NC(=O)CSc1nc2cc([nH]c2c(=O)n1CC(C)C)C)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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-12(2)10-25-20(27)19-16(8-13(3)22-19)24-21(25)30-11-18(26)23-15-9-14(28-4)6-7-17(15)29-5/h6-9,12,22H,10-11H2,1-5H3,(H,23,26)InChIKey
QTXNLKWULFCSDH-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)OC)OC)CC(C)C
COc1ccc(cc1NC(=O)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C)OC
InChI=1SC21H26N4O4Sc112(2)102520(27)1916(813(3)2219)2421(25)301118(26)2315914(284)6717(15)295h691222H1011H215H3(H2326)
MFCD18787654
N(25dimethoxyphenyl)2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(25dimethoxyphenyl)2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067237665
ZINC67237665
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