Vitas-M small molecule compound
(7Z)-7-(4,5-dimethoxy-2-nitrobenzylidene)-3-(4-methylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859726
SMILES COc1cc(/C=c/2\sc3=NCN(Cn3c2=O)c2ccc(cc2)C)c(cc1OC)[N+](=O)[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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-13-4-6-15(7-5-13)23-11-22-21-24(12-23)20(26)19(31-21)9-14-8-17(29-2)18(30-3)10-16(14)25(27)28/h4-10H,11-12H2,1-3H3/b19-9-InChIKey
MDHNLGLIEPTWRY-OCKHKDLRSA-NSynonyms
(7Z)7((45DIMETHOXY2NITROPHENYL)METHYLIDENE)3(4METHYLPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)7(45dimethoxy2nitrobenzylidene)3(4methylphenyl)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)7(45dimethoxy2nitrobenzylidene)3(ptolyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC(=C(C=C4(N+)(=O)(O))OC)OC)S3
COc1cc(C=c2sc3=NCN(Cn3c2=O)c2ccc(cc2)C)c(cc1OC)(N+)(=O)(O)
InChI=1SC21H20N4O5Sc1134615(7513)2311222124(1223)20(26)19(3121)914817(292)18(303)1016(14)25(27)28h410H1112H213H3b199
MFCD02989456
ZINC000001180902
ZINC01180902
ZINC1180902
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