Vitas-M small molecule compound
4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate
Catalog ID
STK705687
SMILES CC(=O)Oc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-13-3-5-15(6-4-13)11-18-20(27)23-22-25(24-18)21(28)19(30-22)12-16-7-9-17(10-8-16)29-14(2)26/h3-10,12H,11H2,1-2H3/b19-12-InChIKey
UQAULSOTUZJQSA-UNOMPAQXSA-NSynonyms
(4((Z)(6((4METHYLPHENYL)METHYL)37DIOXO(13)THIAZOLO(32B)(124)TRIAZIN2YLIDENE)METHYL)PHENYL)ACETATE
4((Z)(6(4methylbenzyl)37dioxo7H(13)thiazolo(32b)(124)triazin2(3H)ylidene)methyl)phenylacetate
CC(=O)Oc1ccc(cc1)C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)C
CC1=CC=C(C=C1)CC2=NN3C(=O)C(=CC4=CC=C(C=C4)OC(=O)C)SC3=NC2=O
InChI=1SC22H17N3O4Sc1133515(6413)111820(27)232225(2418)21(28)19(3022)12167917(10816)2914(2)26h31012H11H212H3b1912
MFCD03535665
ZINC000002702808
ZINC02702808
ZINC2702808
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