Vitas-M small molecule compound
ethyl 4-[({[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]piperidine-1-carboxylate
Catalog ID
STL103906
SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc([nH]c2c(=O)n1CCC(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 C22H33N5O4S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N5O4S/c1-5-31-22(30)26-9-7-16(8-10-26)24-18(28)13-32-21-25-17-12-15(4)23-19(17)20(29)27(21)11-6-14(2)3/h12,14,16,23H,5-11,13H2,1-4H3,(H,24,28)InChIKey
CZGXBPFNAFPUDI-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC(CC1)NC(=O)CSc1nc2cc((nH)c2c(=O)n1CCC(C)C)C
CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)NC(=C3)C
ethyl4((((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
ethyl4((2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)piperidine1carboxylate
InChI=1SC22H33N5O4Sc153122(30)269716(81026)2418(28)13322125171215(4)2319(17)20(29)27(21)11614(2)3h12141623H51113H214H3(H2428)
MFCD20735508
ZINC000067239360
ZINC67239360
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