Vitas-M small molecule compound
ethyl 4-({[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL093652
SMILES CCCCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nc2c(c1=O)[nH]c(c2)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-4-6-11-26-20(28)19-17(12-14(3)23-19)25-22(26)31-13-18(27)24-16-9-7-15(8-10-16)21(29)30-5-2/h7-10,12,23H,4-6,11,13H2,1-3H3,(H,24,27)InChIKey
LOBYZACEWPFJNX-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OCC
CCCCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nc2c(c1=O)(nH)c(c2)C
ethyl4((((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC22H26N4O4Sc146112620(28)1917(1214(3)2319)2522(26)311318(27)24169715(81016)21(29)3052h7101223H461113H213H3(H2427)
MFCD18787786
ZINC000067238318
ZINC67238318
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