Vitas-M small molecule compound
methyl 4-[(7Z)-7-(3,4-dimethoxybenzylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate
Catalog ID
STK609488
SMILES COC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1ccc(c(c1)OC)OC)/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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-28-17-9-4-14(10-18(17)29-2)11-19-20(26)25-13-24(12-23-22(25)31-19)16-7-5-15(6-8-16)21(27)30-3/h4-11H,12-13H2,1-3H3/b19-11-InChIKey
OBBVQBYYDIDFRJ-ODLFYWEKSA-NSynonyms
905428-33-3(Z)methyl4(7(34dimethoxybenzylidene)6oxo67dihydro2Hthiazolo(32a)(135)triazin3(4H)yl)benzoate
905428333
COC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1ccc(c(c1)OC)OC)s2
COC1=C(C=C(C=C1)C=C2C(=O)N3CN(CN=C3S2)C4=CC=C(C=C4)C(=O)OC)OC
InChI=1SC22H21N3O5Sc128179414(1018(17)292)111920(26)251324(122322(25)3119)167515(6816)21(27)303h411H1213H213H3b1911
methyl4((7Z)7((34dimethoxyphenyl)methylidene)6oxo24dihydro(13)thiazolo(32a)(135)triazin3yl)benzoate
methyl4((7Z)7(34dimethoxybenzylidene)6oxo67dihydro2H(13)thiazolo(32a)(135)triazin3(4H)yl)benzoate
MFCD08287485
ZINC000009409746
ZINC09409746
ZINC9409746
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