Vitas-M small molecule compound
2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(2-methylpropyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093556
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1CC(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 C24H31N5O3S MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O3S/c1-16(2)14-29-23(31)22-20(13-17(3)25-22)26-24(29)33-15-21(30)28-11-9-27(10-12-28)18-5-7-19(32-4)8-6-18/h5-8,13,16,25H,9-12,14-15H2,1-4H3InChIKey
PFOQBPSSNSEDCJ-UHFFFAOYSA-NSynonyms
2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(2methylpropyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3(2methylpropyl)5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)CC(C)C
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1CC(C)C)C
InChI=1SC24H31N5O3Sc116(2)142923(31)2220(1317(3)2522)2624(29)331521(30)2811927(101228)185719(324)8618h58131625H9121415H214H3
MFCD18787690
ZINC000067237829
ZINC67237829
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