Vitas-M small molecule compound

(2E)-6-(4-methylbenzyl)-2-[4-(propan-2-yl)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK823923
SMILES Cc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C/c1ccc(cc1)C(C)C)/c2=O

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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 C23H21N3O2S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O2S/c1-14(2)18-10-8-17(9-11-18)13-20-22(28)26-23(29-20)24-21(27)19(25-26)12-16-6-4-15(3)5-7-16/h4-11,13-14H,12H2,1-3H3/b20-13+
InChIKey
FGCYRZNPTZZOFQ-DEDYPNTBSA-N
Synonyms

(2E)6((4methylphenyl)methyl)2((4propan2ylphenyl)methylidene)(13)thiazolo(32b)(124)triazine37dione
(2E)6(4methylbenzyl)2(4(propan2yl)benzylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC=C(C=C4)C(C)C)SC3=NC2=O
Cc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1ccc(cc1)C(C)C)c2=O
InChI=1SC23H21N3O2Sc114(2)1810817(91118)132022(28)2623(2920)2421(27)19(2526)12166415(3)5716h4111314H12H213H3b2013+
MFCD06290986
ZINC000005006694
ZINC05006694
ZINC5006694

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Available files

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