Vitas-M small molecule compound
2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(3-methylbutyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093583
SMILES COc1ccccc1N1CCN(CC1)C(=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 C25H33N5O3S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O3S/c1-17(2)9-10-30-24(32)23-19(15-18(3)26-23)27-25(30)34-16-22(31)29-13-11-28(12-14-29)20-7-5-6-8-21(20)33-4/h5-8,15,17,26H,9-14,16H2,1-4H3InChIKey
XOYORHBSTVXBSK-UHFFFAOYSA-NSynonyms
2((2(4(2methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(3methylbutyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(2methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3(3methylbutyl)5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)CCC(C)C
COc1ccccc1N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1CCC(C)C)C
InChI=1SC25H33N5O3Sc117(2)9103024(32)2319(1518(3)2623)2725(30)341622(31)29131128(121429)20756821(20)334h58151726H91416H214H3
MFCD18787717
ZINC000067237971
ZINC67237971
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