Vitas-M small molecule compound
2-{(Z)-[3-(4-ethoxyphenyl)-6-oxo-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-ium-7(6H)-ylidene]methyl}phenolate
Catalog ID
STK563773
SMILES CCOc1ccc(cc1)[NH+]1CN=c2n(C1)c(=O)/c(=C/c1ccccc1[O-])/s2
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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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-2-26-16-9-7-15(8-10-16)22-12-21-20-23(13-22)19(25)18(27-20)11-14-5-3-4-6-17(14)24/h3-11,24H,2,12-13H2,1H3/b18-11-InChIKey
USSCXUIPDODYAE-WQRHYEAKSA-NSynonyms
405277-93-22((Z)(3(4ethoxyphenyl)6oxo34dihydro2H(13)thiazolo(32a)(135)triazin3ium7(6H)ylidene)methyl)phenolate
405277932
CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=CC=C4O)S3
CCOc1ccc(cc1)(NH+)1CN=c2n(C1)c(=O)c(=Cc1ccccc1(O))s2
InChI=1SC20H19N3O3Sc1226169715(81016)2212212023(1322)19(25)18(2720)1114534617(14)24h31124H21213H21H3b1811
MFCD02932816
ZINC000001067580
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