Vitas-M small molecule compound
3-ethyl-2-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL084443
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc([nH]c2c(=O)n1CC)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 C22H27N5O3S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S/c1-4-27-21(29)20-18(13-15(2)23-20)24-22(27)31-14-19(28)26-11-9-25(10-12-26)16-5-7-17(30-3)8-6-16/h5-8,13,23H,4,9-12,14H2,1-3H3InChIKey
PUODMCZLWHFYIF-UHFFFAOYSA-NSynonyms
3ethyl2((2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl)6methyl35dihydro4Hpyrrolo(32d)pyrimidin4one
3ethyl2(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)sulfanyl6methyl5Hpyrrolo(32d)pyrimidin4one
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2cc((nH)c2c(=O)n1CC)C
InChI=1SC22H27N5O3Sc142721(29)2018(1315(2)2320)2422(27)311419(28)2611925(101226)165717(303)8616h581323H491214H213H3
MFCD18203013
ZINC000057522028
ZINC57522028
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