Vitas-M small molecule compound
(7Z)-3-(4-ethylphenyl)-7-(4-nitrobenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK725009
SMILES CCc1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1ccc(cc1)[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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-2-14-3-7-16(8-4-14)22-12-21-20-23(13-22)19(25)18(28-20)11-15-5-9-17(10-6-15)24(26)27/h3-11H,2,12-13H2,1H3/b18-11-InChIKey
BCBZXXYQNJMAFA-WQRHYEAKSA-NSynonyms
499117-56-5(7Z)3(4ETHYLPHENYL)7((4NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(4ethylphenyl)7(4nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(4ethylphenyl)7(4nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
499117565
CCC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S3
CCc1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
InChI=1SC20H18N4O3Sc12143716(8414)2212212023(1322)19(25)18(2820)11155917(10615)24(26)27h311H21213H21H3b1811
MFCD03302517
ZINC000002351819
ZINC02351819
ZINC2351819
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