Vitas-M small molecule compound
2-[(5E)-4-oxo-5-(quinoxalin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Catalog ID
STK621824
SMILES OC(=O)CCC(N1C(=S)S/C(=C/c2cnc3c(n2)cccc3)/C1=O)C(=O)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 C17H13N3O5S2 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S2/c21-14(22)6-5-12(16(24)25)20-15(23)13(27-17(20)26)7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,7-8,12H,5-6H2,(H,21,22)(H,24,25)/b13-7+InChIKey
BPGMNBSEEWUCRM-NTUHNPAUSA-NSynonyms
(E)2(4oxo5(quinoxalin2ylmethylene)2thioxothiazolidin3yl)pentanedioicacid
2((5E)4oxo5(quinoxalin2ylmethylidene)2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)4oxo5(quinoxalin2ylmethylidene)2thioxo13thiazolidin3yl)pentanedioicacid
C1=CC=C2C(=C1)N=CC(=N2)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O
InChI=1SC17H13N3O5S2c2114(22)6512(16(24)25)2015(23)13(2717(20)26)7981810312411(10)199h147812H56H2(H2122)(H2425)b137+
MFCD09851286
OC(=O)CCC(N1C(=S)SC(=Cc2cnc3c(n2)cccc3)C1=O)C(=O)O
ZINC000013689833
ZINC000013689834
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