Vitas-M small molecule compound

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

Catalog ID
STL059514
SMILES CC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1ccc(cc1)[N+](=O)[O-])/s2

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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-13(25)15-4-8-16(9-5-15)22-11-21-20-23(12-22)19(26)18(29-20)10-14-2-6-17(7-3-14)24(27)28/h2-10H,11-12H2,1H3/b18-10-
InChIKey
JEAGNIOWDZMMEC-ZDLGFXPLSA-N
Synonyms
488825-78-1
(7Z)3(4ACETYLPHENYL)7((4NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(4acetylphenyl)7(4nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(4acetylphenyl)7(4nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
488825781
CC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S3
CC(=O)c1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
InChI=1SC20H16N4O4Sc113(25)154816(9515)2211212023(1222)19(26)18(2920)10142617(7314)24(27)28h210H1112H21H3b1810
MFCD03293955
ZINC000001790913
ZINC01790913
ZINC1790913

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Available files

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