Vitas-M small molecule compound
ethyl 4-[(7Z)-6-oxo-7-[(2E)-3-phenylprop-2-en-1-ylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate
Catalog ID
STK724958
SMILES CCOC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/C=C/c1ccccc1)/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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-2-29-22(28)18-11-13-19(14-12-18)25-15-24-23-26(16-25)21(27)20(30-23)10-6-9-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3/b9-6+,20-10-InChIKey
QMBFVCWXCUUJPU-CRVGVPJFSA-NSynonyms
839701-72-3839701723
CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC=CC4=CC=CC=C4)S3
CCOC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)c(=CC=Cc1ccccc1)s2
ethyl4((7Z)6oxo7((2E)3phenylprop2en1ylidene)67dihydro2H(13)thiazolo(32a)(135)triazin3(4H)yl)benzoate
ETHYL4((7Z)6OXO7((E)3PHENYLPROP2ENYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN3YL)BENZOATE
ethyl4((Z)6oxo7((E)3phenylallylidene)67dihydro2Hthiazolo(32a)(135)triazin3(4H)yl)benzoate
InChI=1SC23H21N3O3Sc122922(28)18111319(141218)2515242326(1625)21(27)20(3023)1069177435817h314H21516H21H3b96+2010
MFCD03693119
ZINC000005069019
ZINC05069019
ZINC5069019
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