Vitas-M small molecule compound
2-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093231
SMILES O=C(N1CCN(CC1)Cc1ccccc1)CSc1nc2cc([nH]c2c(=O)n1C(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 C23H29N5O2S MW 439.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O2S/c1-16(2)28-22(30)21-19(13-17(3)24-21)25-23(28)31-15-20(29)27-11-9-26(10-12-27)14-18-7-5-4-6-8-18/h4-8,13,16,24H,9-12,14-15H2,1-3H3InChIKey
ODIWYMXXWOGGMA-UHFFFAOYSA-NSynonyms
2((2(4benzylpiperazin1yl)2oxoethyl)sulfanyl)6methyl3(propan2yl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4benzylpiperazin1yl)2oxoethyl)sulfanyl6methyl3propan2yl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C(C)C
InChI=1SC23H29N5O2Sc116(2)2822(30)2119(1317(3)2421)2523(28)311520(29)2711926(101227)14187546818h48131624H9121415H213H3
MFCD18787365
O=C(N1CCN(CC1)Cc1ccccc1)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
ZINC000067236102
ZINC67236102
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