Vitas-M small molecule compound
2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL103655
SMILES O=C(N1CCN(CC1)c1ccccc1F)CSc1nc2cc([nH]c2c(=O)n1C(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 C22H26FN5O2S MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26FN5O2S/c1-14(2)28-21(30)20-17(12-15(3)24-20)25-22(28)31-13-19(29)27-10-8-26(9-11-27)18-7-5-4-6-16(18)23/h4-7,12,14,24H,8-11,13H2,1-3H3InChIKey
KVNPMFWOMZTCGX-UHFFFAOYSA-NSynonyms
2((2(4(2fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(propan2yl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(2fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3propan2yl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C(C)C
InChI=1SC22H26FN5O2Sc114(2)2821(30)2017(1215(3)2420)2522(28)311319(29)2710826(91127)18754616(18)23h47121424H81113H213H3
MFCD20735257
O=C(N1CCN(CC1)c1ccccc1F)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
ZINC000067236087
ZINC67236087
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