Vitas-M small molecule compound
1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl}[4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL039004
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)S)c1c(O)nc(n(c1=O)CCC1=CCCCC1)[S-]
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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 C38H49N5O5S2 MW 719.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H49N5O5S2/c1-48-29-16-15-27(23-28(29)24-41-19-9-4-10-20-41)30(31-33(44)39-37(49)42(35(31)46)21-17-25-11-5-2-6-12-25)32-34(45)40-38(50)43(36(32)47)22-18-26-13-7-3-8-14-26/h11,13,15-16,23,30,44-45H,2-10,12,14,17-22,24H2,1H3,(H,39,49)(H,40,50)InChIKey
FUDRNXZSFRVOHQ-UHFFFAOYSA-NSynonyms
1(2(cyclohex1en1yl)ethyl)5((1(2(cyclohex1en1yl)ethyl)4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)4hydroxy6oxo16dihydr
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c(O)nc(n(c1=O)CCC1=CCCCC1)S)c1c(O)nc(n(c1=O)CCC1=CCCCC1)(S)
MFCD18247749
ZINC000150439385
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