Vitas-M small molecule compound

(7Z)-3-(1,3-benzodioxol-5-yl)-7-(3-nitrobenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one

Catalog ID
STK859766
SMILES O=c1/c(=C/c2cccc(c2)[N+](=O)[O-])/sc2=NCN(Cn12)c1ccc2c(c1)OCO2

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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 C19H14N4O5S MW 410.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O5S/c24-18-17(7-12-2-1-3-14(6-12)23(25)26)29-19-20-9-21(10-22(18)19)13-4-5-15-16(8-13)28-11-27-15/h1-8H,9-11H2/b17-7-
InChIKey
AGJNEPGMFRNYFO-IDUWFGFVSA-N
Synonyms

(7Z)3(13BENZODIOXOL5YL)7((3NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(13benzodioxol5yl)7(3nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(benzo(d)(13)dioxol5yl)7(3nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
3(2HBENZO(34D)13DIOXOLAN5YL)7((3NITROPHENYL)METHYLENE)2H4H13THIAZOLIDINO(32E)135TRIAZIN6ONE
C1N=C2N(CN1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=CC=C5)(N+)(=O)(O))S2
InChI=1SC19H14N4O5Sc241817(71221314(612)23(25)26)291920921(1022(18)19)13451516(813)28112715h18H911H2b177
MFCD02989767
O=c1c(=Cc2cccc(c2)(N+)(=O)(O))sc2=NCN(Cn12)c1ccc2c(c1)OCO2
ZINC000013800381
ZINC13800381

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Available files

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