Vitas-M small molecule compound
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-{[6-methyl-3-(2-methylpropyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093571
SMILES CCOc1ccc2c(c1)nc(s2)NC(=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 C22H25N5O3S2 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O3S2/c1-5-30-14-6-7-17-15(9-14)24-21(32-17)26-18(28)11-31-22-25-16-8-13(4)23-19(16)20(29)27(22)10-12(2)3/h6-9,12,23H,5,10-11H2,1-4H3,(H,24,26,28)InChIKey
MSSLUEMOCYQKHJ-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)CSC3=NC4=C(C(=O)N3CC(C)C)NC(=C4)C
CCOc1ccc2c(c1)nc(s2)NC(=O)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C
InChI=1SC22H25N5O3S2c153014671715(914)2421(3217)2618(28)1131222516813(4)2319(16)20(29)27(22)1012(2)3h691223H51011H214H3(H242628)
MFCD18787705
N(5ethoxy13benzothiazol2yl)2((6methyl3(2methylpropyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(5ethoxy13benzothiazol2yl)2((6methyl3(2methylpropyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067237900
ZINC67237900
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