Vitas-M small molecule compound
4-[(Z)-{2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]phenyl acetate
Catalog ID
STK800067
SMILES CC(=O)Oc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)C
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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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-14-3-5-16(6-4-14)9-12-20-23-22-25(24-20)21(27)19(29-22)13-17-7-10-18(11-8-17)28-15(2)26/h3-13H,1-2H3/b12-9+,19-13-InChIKey
TYOQAGHLVZTIHD-VIVFWABWSA-NSynonyms
(4((Z)(2((E)2(4METHYLPHENYL)ETHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)PHENYL)ACETATE
4((Z)(2((E)2(4methylphenyl)ethenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)phenylacetate
CC(=O)Oc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)C
CC1=CC=C(C=C1)C=CC2=NN3C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)SC3=N2
InChI=1SC22H17N3O3Sc1143516(6414)91220232225(2420)21(27)19(2922)131771018(11817)2815(2)26h313H12H3b129+1913
MFCD04447040
ZINC000004318630
ZINC04318630
ZINC4318630
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