Vitas-M small molecule compound
6-hydroxy-3-(2-methoxyethyl)-2-sulfanyl-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)pyrimidin-4(3H)-one
Catalog ID
STL532572
SMILES COCCn1c(S)nc(c(c1=O)C1NCCc2c1[nH]c1c2cccc1)O
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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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-25-9-8-22-17(24)13(16(23)21-18(22)26)15-14-11(6-7-19-15)10-4-2-3-5-12(10)20-14/h2-5,15,19-20,23H,6-9H2,1H3,(H,21,26)InChIKey
QJYKODIAYAYSDI-UHFFFAOYSA-NSynonyms
6hydroxy3(2methoxyethyl)2sulfanyl5(2349tetrahydro1Hbetacarbolin1yl)pyrimidin4(3H)one
InChI=1SC18H20N4O3Sc125982217(24)13(16(23)2118(22)26)151411(671915)10423512(10)2014h2515192023H69H21H3(H2126)
MFCD07202069
ZINC000016975391
ZINC000020757552
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