Vitas-M small molecule compound
(7Z)-7-(3,4-dimethoxybenzylidene)-3-(4-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859713
SMILES COc1ccc(cc1OC)/C=c/1\sc2=NCN(Cn2c1=O)c1ccc(cc1)[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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-28-16-8-3-13(9-17(16)29-2)10-18-19(25)23-12-22(11-21-20(23)30-18)14-4-6-15(7-5-14)24(26)27/h3-10H,11-12H2,1-2H3/b18-10-InChIKey
RHBQCJNPFKQMHR-ZDLGFXPLSA-NSynonyms
(7Z)7((34DIMETHOXYPHENYL)METHYLIDENE)3(4NITROPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)7(34dimethoxybenzylidene)3(4nitrophenyl)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)7(34dimethoxybenzylidene)3(4nitrophenyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
COC1=C(C=C(C=C1)C=C2C(=O)N3CN(CN=C3S2)C4=CC=C(C=C4)(N+)(=O)(O))OC
COc1ccc(cc1OC)C=c1sc2=NCN(Cn2c1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H18N4O5Sc128168313(917(16)292)101819(25)231222(112120(23)3018)144615(7514)24(26)27h310H1112H212H3b1810
MFCD02922785
ZINC000008817328
ZINC08817328
ZINC8817328
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