Vitas-M small molecule compound
(2E)-2-(4-methoxybenzylidene)-6-(4-methylbenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK823918
SMILES COc1ccc(cc1)/C=c\1/sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-13-3-5-14(6-4-13)11-17-19(25)22-21-24(23-17)20(26)18(28-21)12-15-7-9-16(27-2)10-8-15/h3-10,12H,11H2,1-2H3/b18-12+InChIKey
ACFYOKUFLTXRSD-LDADJPATSA-NSynonyms
(2E)2((4methoxyphenyl)methylidene)6((4methylphenyl)methyl)(13)thiazolo(32b)(124)triazine37dione
(2E)2(4methoxybenzylidene)6(4methylbenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC=C(C=C4)OC)SC3=NC2=O
COc1ccc(cc1)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
InChI=1SC21H17N3O3Sc1133514(6413)111719(25)222124(2317)20(26)18(2821)12157916(272)10815h31012H11H212H3b1812+
MFCD06290981
ZINC000005006680
ZINC05006680
ZINC5006680
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