Vitas-M small molecule compound
(7Z)-3-(4-acetylphenyl)-7-(3-nitrobenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859767
SMILES [O-][N+](=O)c1cccc(c1)/C=c/1\sc2=NCN(Cn2c1=O)c1ccc(cc1)C(=O)C
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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)15-5-7-16(8-6-15)22-11-21-20-23(12-22)19(26)18(29-20)10-14-3-2-4-17(9-14)24(27)28/h2-10H,11-12H2,1H3/b18-10-InChIKey
VQBQNVFOFVMDJE-ZDLGFXPLSA-NSynonyms
(7Z)3(4ACETYLPHENYL)7((3NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(4acetylphenyl)7(3nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(O)(N+)(=O)c1cccc(c1)C=c1sc2=NCN(Cn2c1=O)c1ccc(cc1)C(=O)C
(Z)3(4acetylphenyl)7(3nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC20H16N4O4Sc113(25)155716(8615)2211212023(1222)19(26)18(2920)101432417(914)24(27)28h210H1112H21H3b1810
MFCD02990967
ZINC000001182677
ZINC01182677
ZINC1182677
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