Vitas-M small molecule compound
ethyl 2-({[6-methyl-3-(2-methylpropyl)-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetyl}amino)benzoate
Catalog ID
STL111620
SMILES CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc2c1c(=O)n(c(n2)SC)CC(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 C23H28N4O4S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4S/c1-6-31-22(30)16-9-7-8-10-17(16)24-19(28)13-26-15(4)11-18-20(26)21(29)27(12-14(2)3)23(25-18)32-5/h7-11,14H,6,12-13H2,1-5H3,(H,24,28)InChIKey
BBKPVFALVFPOAN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=CC3=C2C(=O)N(C(=N3)SC)CC(C)C)C
ethyl2(((6methyl3(2methylpropyl)2(methylsulfanyl)4oxo34dihydro5Hpyrrolo(32d)pyrimidin5yl)acetyl)amino)benzoate
ethyl2((2(6methyl3(2methylpropyl)2methylsulfanyl4oxopyrrolo(32d)pyrimidin5yl)acetyl)amino)benzoate
InChI=1SC23H28N4O4Sc163122(30)169781017(16)2419(28)132615(4)111820(26)21(29)27(1214(2)3)23(2518)325h71114H61213H215H3(H2428)
MFCD20746501
ZINC000067319949
ZINC67319949
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