Vitas-M small molecule compound
2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093232
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)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 C23H29N5O3S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O3S/c1-15(2)28-22(30)21-19(13-16(3)24-21)25-23(28)32-14-20(29)27-11-9-26(10-12-27)17-5-7-18(31-4)8-6-17/h5-8,13,15,24H,9-12,14H2,1-4H3InChIKey
JLAMHIDYDFJKKW-UHFFFAOYSA-NSynonyms
2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl3(propan2yl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl3propan2yl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C(C)C
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
InChI=1SC23H29N5O3Sc115(2)2822(30)2119(1316(3)2421)2523(28)321420(29)2711926(101227)175718(314)8617h58131524H91214H214H3
MFCD18787366
ZINC000067236105
ZINC67236105
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