Vitas-M small molecule compound
3-(3-fluorophenyl)-5-{[1-(3-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-4-olate
Catalog ID
STL047147
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)F)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 C34H31F2N5O5S2 MW 691.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31F2N5O5S2/c1-46-25-12-11-19(15-20(25)18-39-13-3-2-4-14-39)26(27-29(42)37-33(47)40(31(27)44)23-9-5-7-21(35)16-23)28-30(43)38-34(48)41(32(28)45)24-10-6-8-22(36)17-24/h5-12,15-17,26,44-45H,2-4,13-14,18H2,1H3,(H,37,42,47)(H,38,43,48)InChIKey
SMRCPASNVVFURO-UHFFFAOYSA-NSynonyms
COc1ccc(cc1C(NH+)1CCCCC1)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1(O))c1cccc(c1)F)S
MFCD04071815
ZINC000150452613
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