Vitas-M small molecule compound

(2Z)-6-(3,4-dimethoxybenzyl)-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK553656
SMILES COc1ccc(cc1OC)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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c1-30-16-7-6-13(10-17(16)31-2)9-15-19(26)22-21-24(23-15)20(27)18(32-21)11-12-4-3-5-14(8-12)25(28)29/h3-8,10-11H,9H2,1-2H3/b18-11-
InChIKey
RLTPJNVEVCUNCT-WQRHYEAKSA-N
Synonyms
673491-71-9
(2Z)6((34DIMETHOXYPHENYL)METHYL)2((3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(34dimethoxybenzyl)2(3nitrobenzylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)6(34dimethoxybenzyl)2(3nitrobenzylidene)2Hthiazolo(32b)(124)triazine37dione
673491719
COC1=C(C=C(C=C1)CC2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=NC2=O)OC
COc1ccc(cc1OC)Cc1nn2c(nc1=O)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC21H16N4O6Sc130167613(1017(16)312)91519(26)222124(2315)20(27)18(3221)111243514(812)25(28)29h381011H9H212H3b1811
MFCD04004554
ZINC000001838262
ZINC01838262
ZINC1838262

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Available files

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