Vitas-M small molecule compound
(2E)-2-(3-nitrobenzylidene)-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK705834
SMILES CCCOc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C/c1cccc(c1)[N+](=O)[O-])/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 C22H18N4O5S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S/c1-2-10-31-17-8-6-14(7-9-17)12-18-20(27)23-22-25(24-18)21(28)19(32-22)13-15-4-3-5-16(11-15)26(29)30/h3-9,11,13H,2,10,12H2,1H3/b19-13+InChIKey
LZXACQQJXYTRDG-CPNJWEJPSA-NSynonyms
(2E)2((3NITROPHENYL)METHYLIDENE)6((4PROPOXYPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2E)2(3nitrobenzylidene)6(4propoxybenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)2(3nitrobenzylidene)6(4propoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
CCCOC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=NC2=O
CCCOc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC22H18N4O5Sc121031178614(7917)121820(27)232225(2418)21(28)19(3222)131543516(1115)26(29)30h391113H21012H21H3b1913+
MFCD04446839
ZINC000026779364
ZINC26779364
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