Vitas-M small molecule compound
(7E)-3-(4-ethoxyphenyl)-7-[(5-iodofuran-2-yl)methylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859773
SMILES CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C\c1ccc(o1)I)/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 C18H16IN3O3S MW 481.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16IN3O3S/c1-2-24-13-5-3-12(4-6-13)21-10-20-18-22(11-21)17(23)15(26-18)9-14-7-8-16(19)25-14/h3-9H,2,10-11H2,1H3/b15-9+InChIKey
QYSPTCIAFAKEFH-OQLLNIDSSA-NSynonyms
(7E)3(4ETHOXYPHENYL)7((5IODOFURAN2YL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7E)3(4ethoxyphenyl)7((5iodofuran2yl)methylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(E)3(4ethoxyphenyl)7((5iodofuran2yl)methylene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=C(O4)I)S3
CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1ccc(o1)I)s2
InChI=1SC18H16IN3O3Sc1224135312(4613)2110201822(1121)17(23)15(2618)9147816(19)2514h39H21011H21H3b159+
MFCD02922835
ZINC000008927648
ZINC08927648
ZINC8927648
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