Vitas-M small molecule compound
1-(3-chlorophenyl)-5-{[1-(3-chlorophenyl)-4-hydroxy-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-6-hydroxy-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL038780
SMILES COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(n(c1=O)c1cccc(c1)Cl)S)c1c(=O)nc(n(c1O)c1cccc(c1)Cl)[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 C33H29Cl2N5O6S2 MW 726.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N5O6S2/c1-45-24-9-8-18(14-19(24)17-38-10-12-46-13-11-38)25(26-28(41)36-32(47)39(30(26)43)22-6-2-4-20(34)15-22)27-29(42)37-33(48)40(31(27)44)23-7-3-5-21(35)16-23/h2-9,14-16,25,41,44H,10-13,17H2,1H3,(H,36,47)(H,37,42,48)InChIKey
FWBXFZCPFRRTLW-UHFFFAOYSA-NSynonyms
1(3chlorophenyl)5((1(3chlorophenyl)4hydroxy6oxo2sulfanyl16dihydropyrimidin5yl)(4methoxy3(morpholin4ium4ylmethyl)phenyl)methyl)6hydroxy4oxo14dihydropyrimidine2thiolate
COc1ccc(cc1C(NH+)1CCOCC1)C(c1c(O)nc(n(c1=O)c1cccc(c1)Cl)S)c1c(=O)nc(n(c1O)c1cccc(c1)Cl)(S)
MFCD18247701
ZINC000150439799
ZINC000150439805
Check stock
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