Vitas-M small molecule compound
1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dihydroxy-2-thioxo-1,2-dihydropyrimidin-5-yl}(4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl]-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL044903
SMILES COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-])c1c(O)nc(=S)n(c1O)CCC1=CCCCC1
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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 C43H52N6O5S2 MW 797.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H52N6O5S2/c1-54-34-18-17-30(25-32(34)27-47-22-9-8-16-33(47)31-15-10-21-44-26-31)35(36-38(50)45-42(55)48(40(36)52)23-19-28-11-4-2-5-12-28)37-39(51)46-43(56)49(41(37)53)24-20-29-13-6-3-7-14-29/h10-11,13,15,17-18,21,25-26,33,35,50,53H,2-9,12,14,1InChIKey
MRNBRUYKNFOFCM-UHFFFAOYSA-NSynonyms
1(2(cyclohex1en1yl)ethyl)5((1(2(cyclohex1en1yl)ethyl)46dihydroxy2thioxo12dihydropyrimidin5yl)(4methoxy3((2(pyridin3yl)piperidinium1yl)methyl)phenyl)methyl)4hydroxy6
COc1ccc(cc1C(NH+)1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)(S))c1c(O)nc(=S)n(c1O)CCC1=CCCCC1
MFCD18248515
ZINC000150449859
ZINC000150656947
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