Vitas-M small molecule compound
(2E)-6-(4-methylbenzyl)-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK823908
SMILES Cc1ccc(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 C20H14N4O4S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O4S/c1-12-5-7-13(8-6-12)10-16-18(25)21-20-23(22-16)19(26)17(29-20)11-14-3-2-4-15(9-14)24(27)28/h2-9,11H,10H2,1H3/b17-11+InChIKey
VHFGCXISWVROLT-GZTJUZNOSA-NSynonyms
(2E)6((4methylphenyl)methyl)2((3nitrophenyl)methylidene)(13)thiazolo(32b)(124)triazine37dione
(2E)6(4methylbenzyl)2(3nitrobenzylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=NC2=O
Cc1ccc(cc1)Cc1nn2c(nc1=O)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC20H14N4O4Sc1125713(8612)101618(25)212023(2216)19(26)17(2920)111432415(914)24(27)28h2911H10H21H3b1711+
MFCD06290973
ZINC000005006655
ZINC05006655
ZINC5006655
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