Vitas-M small molecule compound
2,2'-{(2-carboxybenzene-1,4-diyl)bis[imino(E)ethene-2,1-diyl]}bis(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium)
Catalog ID
STK374739
SMILES CC[N+]1=C(/C=C/Nc2ccc(c(c2)C(=O)O)N/C=C/C2=[N+](CC)CCS2)SCC1
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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 C21H28N4O2S2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S2/c1-3-24-11-13-28-19(24)7-9-22-16-5-6-18(17(15-16)21(26)27)23-10-8-20-25(4-2)12-14-29-20/h5-10,15H,3-4,11-14H2,1-2H3,(H,26,27)/p+2InChIKey
SJASLJVJLSYCIO-UHFFFAOYSA-PSynonyms
22((2CARBOXY14PHENYLENE)BIS(IMINO21ETHENEDIYL))BIS(3ETHYL45DIHYDROTHIAZOL3IUM)
22((2carboxybenzene14diyl)bis(imino(E)ethene21diyl))bis(3ethyl45dihydro13thiazol3ium)
25BIS(((E)2(3ETHYL45DIHYDRO13THIAZOL3IUM2YL)ETHENYL)AMINO)BENZOICACID
25BIS(2(3ETHYL45DIHYDRO13THIAZOL3IUM2YL)ETHENYLAMINO)BENZOICACID
CC(N+)1=C(C=CNc2ccc(c(c2)C(=O)O)NC=CC2=(N+)(CC)CCS2)SCC1
CC(N+)1=C(SCC1)C=CNC2=CC(=C(C=C2)NC=CC3=(N+)(CCS3)CC)C(=O)O
InChI=1SC21H26N4O2S2c132411132819(24)7922165618(17(1516)21(26)27)231082025(42)12142920h51015H341114H212H3(H2627)p+2
MFCD01078711
ZINC000334157903
ZINC000334157906
ZINC3099637
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