Vitas-M small molecule compound

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

Catalog ID
STL093494
SMILES Fc1ccc(cc1)n1c(SCC(=O)N2CCN(CC2)Cc2ccccc2)nc2c(c1=O)[nH]c(c2)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 C26H26FN5O2S MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN5O2S/c1-18-15-22-24(28-18)25(34)32(21-9-7-20(27)8-10-21)26(29-22)35-17-23(33)31-13-11-30(12-14-31)16-19-5-3-2-4-6-19/h2-10,15,28H,11-14,16-17H2,1H3
InChIKey
NYHSYTDMGDHVEM-UHFFFAOYSA-N
Synonyms

2((2(4benzylpiperazin1yl)2oxoethyl)sulfanyl)3(4fluorophenyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4benzylpiperazin1yl)2oxoethyl)sulfanyl3(4fluorophenyl)6methyl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)F
Fc1ccc(cc1)n1c(SCC(=O)N2CCN(CC2)Cc2ccccc2)nc2c(c1=O)(nH)c(c2)C
InChI=1SC26H26FN5O2Sc118152224(2818)25(34)32(219720(27)81021)26(2922)351723(33)31131130(121431)16195324619h2101528H11141617H21H3
MFCD18787628
ZINC000067237509
ZINC67237509

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Available files

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