Vitas-M small molecule compound
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093188
SMILES O=C(N1CCCc2c1cccc2)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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-13(2)25-20(27)19-16(11-14(3)22-19)23-21(25)28-12-18(26)24-10-6-8-15-7-4-5-9-17(15)24/h4-5,7,9,11,13,22H,6,8,10,12H2,1-3H3InChIKey
FCPKDALJEUZQQU-UHFFFAOYSA-NSynonyms
2((2(34dihydroquinolin1(2H)yl)2oxoethyl)sulfanyl)6methyl3(propan2yl)35dihydro4Hpyrrolo(32d)pyrimidin4one
2(2(34dihydro2Hquinolin1yl)2oxoethyl)sulfanyl6methyl3propan2yl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C(C)C
InChI=1SC21H24N4O2Sc113(2)2520(27)1916(1114(3)2219)2321(25)281218(26)24106815745917(15)24h4579111322H681012H213H3
MFCD18787322
O=C(N1CCCc2c1cccc2)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
ZINC000067235866
ZINC67235866
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