Vitas-M small molecule compound
5-{[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-3-(4-methoxyphenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Catalog ID
STL148397
SMILES COc1ccc(cc1)n1c(S)nc(=O)c(c1[O-])C(c1c(=O)nc(n(c1O)c1ccc(cc1)OC)S)c1ccc(c(c1)C[NH+]1CCCCC1)OC
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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 C36H37N5O7S2 MW 715.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N5O7S2/c1-46-25-12-8-23(9-13-25)40-33(44)29(31(42)37-35(40)49)28(21-7-16-27(48-3)22(19-21)20-39-17-5-4-6-18-39)30-32(43)38-36(50)41(34(30)45)24-10-14-26(47-2)15-11-24/h7-16,19,28,44-45H,4-6,17-18,20H2,1-3H3,(H,37,42,49)(H,38,43,50)InChIKey
KIHKUDDOQKSPGY-UHFFFAOYSA-NSynonyms
COc1ccc(cc1)n1c(S)nc(=O)c(c1(O))C(c1c(=O)nc(n(c1O)c1ccc(cc1)OC)S)c1ccc(c(c1)C(NH+)1CCCCC1)OC
MFCD04082317
ZINC000150390645
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