Vitas-M small molecule compound
[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL221130
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O
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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 C22H18N4O5S2 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S2/c27-15(13-6-2-1-3-7-13)11-23-19-14(20(30)25-9-5-4-8-17(25)24-19)10-16-21(31)26(12-18(28)29)22(32)33-16/h1-10,15,23,27H,11-12H2,(H,28,29)/b16-10-InChIKey
OCNASMMCFDPHQT-YBEGLDIGSA-NSynonyms
((5Z)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((2((2hydroxy2phenylethyl)amino)4oxopyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC=C(C=C1)C(CNC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC(=O)O)O
InChI=1SC22H18N4O5S2c2715(136213713)11231914(20(30)25954817(25)2419)101621(31)26(1218(28)29)22(32)3316h110152327H1112H2(H2829)b1610
MFCD23700134
OC(=O)CN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
ZINC000080345467
ZINC000080345471
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