Vitas-M small molecule compound

3-(butan-2-yl)-2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

Catalog ID
STL093817
SMILES CCC(n1c(SCC(=O)N2CCN(CC2)c2ccccc2F)nc2c(c1=O)[nH]c(c2)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 C23H28FN5O2S MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28FN5O2S/c1-4-16(3)29-22(31)21-18(13-15(2)25-21)26-23(29)32-14-20(30)28-11-9-27(10-12-28)19-8-6-5-7-17(19)24/h5-8,13,16,25H,4,9-12,14H2,1-3H3
InChIKey
LYFLJAWIERCXMB-UHFFFAOYSA-N
Synonyms

3(butan2yl)2((2(4(2fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3butan2yl2(2(4(2fluorophenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl5Hpyrrolo(32d)pyrimidin4one
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4F
CCC(n1c(SCC(=O)N2CCN(CC2)c2ccccc2F)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC23H28FN5O2Sc1416(3)2922(31)2118(1315(2)2521)2623(29)321420(30)2811927(101228)19865717(19)24h58131625H491214H213H3
MFCD18787951
ZINC000067239097
ZINC000067239099

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Available files

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