Vitas-M small molecule compound
(7Z)-7-(4-ethoxybenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859775
SMILES CCOc1ccc(cc1)/C=c/1\sc2=NCN(Cn2c1=O)c1cccc(c1)[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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-2-28-17-8-6-14(7-9-17)10-18-19(25)23-13-22(12-21-20(23)29-18)15-4-3-5-16(11-15)24(26)27/h3-11H,2,12-13H2,1H3/b18-10-InChIKey
XXPHGJNZOBSZQL-ZDLGFXPLSA-NSynonyms
(7Z)7((4ETHOXYPHENYL)METHYLIDENE)3(3NITROPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)7(4ethoxybenzylidene)3(3nitrophenyl)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)7(4ethoxybenzylidene)3(3nitrophenyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CCOC1=CC=C(C=C1)C=C2C(=O)N3CN(CN=C3S2)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1)C=c1sc2=NCN(Cn2c1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H18N4O4Sc1228178614(7917)101819(25)231322(122120(23)2918)1543516(1115)24(26)27h311H21213H21H3b1810
MFCD02996524
ZINC000013810160
ZINC13810160
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