Vitas-M small molecule compound
(7Z)-3-(3,4-dimethoxyphenyl)-7-(3-nitrobenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859955
SMILES COc1cc(ccc1OC)N1CN=c2n(C1)c(=O)/c(=C/c1cccc(c1)[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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-28-16-7-6-14(10-17(16)29-2)22-11-21-20-23(12-22)19(25)18(30-20)9-13-4-3-5-15(8-13)24(26)27/h3-10H,11-12H2,1-2H3/b18-9-InChIKey
SHEDAINFDNPORO-NVMNQCDNSA-NSynonyms
488718-46-3(7Z)3(34DIMETHOXYPHENYL)7((3NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(34dimethoxyphenyl)7(3nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(34dimethoxyphenyl)7(3nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
488718463
COC1=C(C=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3)OC
COc1cc(ccc1OC)N1CN=c2n(C1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC20H18N4O5Sc128167614(1017(16)292)2211212023(1222)19(25)18(3020)91343515(813)24(26)27h310H1112H212H3b189
MFCD03291220
ZINC000002337241
ZINC02337241
ZINC2337241
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