Vitas-M small molecule compound
5-{(6-hydroxy-3-methyl-4-oxo-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-3-methyl-6-oxo-1-phenyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STK526520
SMILES COc1ccc(cc1C[NH+]1CCOCC1)C(c1c([O-])n(C)c(=S)n(c1=O)c1ccccc1)c1c(O)n(c2ccccc2)c(=S)n(c1=O)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 C35H35N5O6S2 MW 685.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O6S2/c1-36-30(41)28(32(43)39(34(36)47)24-10-6-4-7-11-24)27(22-14-15-26(45-3)23(20-22)21-38-16-18-46-19-17-38)29-31(42)37(2)35(48)40(33(29)44)25-12-8-5-9-13-25/h4-15,20,27,41,44H,16-19,21H2,1-3H3InChIKey
ZFFZVNSBKQTWPA-UHFFFAOYSA-NSynonyms
5((6hydroxy3methyl4oxo1phenyl2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)3methyl6oxo1phenyl2thioxo1236tetrahydropyrimidin4o
5((6hydroxy3methyl4oxo1phenyl2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(morpholino4iummethyl)phenyl)methyl)3methyl6oxo1phenyl2thioxo1236tetrahydropyrimidin4olate
COc1ccc(cc1C(NH+)1CCOCC1)C(c1c((O))n(C)c(=S)n(c1=O)c1ccccc1)c1c(O)n(c2ccccc2)c(=S)n(c1=O)C
MFCD18241559
ZINC000150406565
ZINC000150406570
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