Vitas-M small molecule compound
2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL103697
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1c1ccccc1)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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-18-16-22-24(27-18)25(33)31(20-6-4-3-5-7-20)26(28-22)35-17-23(32)30-14-12-29(13-15-30)19-8-10-21(34-2)11-9-19/h3-11,16,27H,12-15,17H2,1-2H3InChIKey
GDSSEDDGBSHYAA-UHFFFAOYSA-NSynonyms
2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3phenyl35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3phenyl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C5=CC=CC=C5
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccccc1)C
InChI=1SC26H27N5O3Sc118162224(2718)25(33)31(206435720)26(2822)351723(32)30141229(131530)1981021(342)11919h3111627H121517H212H3
MFCD20735299
ZINC000067236860
ZINC67236860
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