Vitas-M small molecule compound
3-ethyl-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL084437
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)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 C21H24FN5O2S MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN5O2S/c1-3-27-20(29)19-17(12-14(2)23-19)24-21(27)30-13-18(28)26-10-8-25(9-11-26)16-6-4-15(22)5-7-16/h4-7,12,23H,3,8-11,13H2,1-2H3InChIKey
IANOXRXSQXNKEZ-UHFFFAOYSA-NSynonyms
3ethyl2((2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3ethyl2(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl5Hpyrrolo(32d)pyrimidin4one
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F
CCn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nc2c(c1=O)(nH)c(c2)C
InChI=1SC21H24FN5O2Sc132720(29)1917(1214(2)2319)2421(27)301318(28)2610825(91126)166415(22)5716h471223H381113H212H3
MFCD18203007
ZINC000057522006
ZINC57522006
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