Vitas-M small molecule compound
2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Catalog ID
STK623897
SMILES OC(=O)C(N1C(=S)S/C(=C/c2ccc3c(c2)nccn3)/C1=O)Cc1ccccc1
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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 C21H15N3O3S2 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O3S2/c25-19-18(12-14-6-7-15-16(10-14)23-9-8-22-15)29-21(28)24(19)17(20(26)27)11-13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,26,27)/b18-12+InChIKey
MSWWHXLVKDCHBE-LDADJPATSA-NSynonyms
(E)2(4oxo5(quinoxalin6ylmethylene)2thioxothiazolidin3yl)3phenylpropanoicacid
2((5E)4oxo5(quinoxalin6ylmethylidene)2sulfanylidene13thiazolidin3yl)3phenylpropanoicacid
2((5E)4oxo5(quinoxalin6ylmethylidene)2thioxo13thiazolidin3yl)3phenylpropanoicacid
C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC4=NC=CN=C4C=C3)SC2=S
InChI=1SC21H15N3O3S2c251918(1214671516(1014)23982215)2921(28)24(19)17(20(26)27)11134213513h1101217H11H2(H2627)b1812+
MFCD09851272
OC(=O)C(N1C(=S)SC(=Cc2ccc3c(c2)nccn3)C1=O)Cc1ccccc1
ZINC000013689811
ZINC000013689812
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