Vitas-M small molecule compound

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

Catalog ID
STL093264
SMILES COc1ccccc1N1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-17-14-19-23(26-17)24(32)30(15-18-6-5-13-34-18)25(27-19)35-16-22(31)29-11-9-28(10-12-29)20-7-3-4-8-21(20)33-2/h3-8,13-14,26H,9-12,15-16H2,1-2H3
InChIKey
XUBFIXNGBQCKLS-UHFFFAOYSA-N
Synonyms

3(furan2ylmethyl)2((2(4(2methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3(furan2ylmethyl)2(2(4(2methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC)CC5=CC=CO5
COc1ccccc1N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
InChI=1SC25H27N5O4Sc117141923(2617)24(32)30(151865133418)25(2719)351622(31)2911928(101229)20734821(20)332h38131426H9121516H212H3
MFCD18787398
ZINC000067236249
ZINC67236249

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Available files

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