Vitas-M small molecule compound
4-{(E)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2,6-dimethylphenyl acetate
Catalog ID
STK814472
SMILES CCOc1ccc(cc1)c1nn2c(n1)s/c(=C/c1cc(C)c(c(c1)C)OC(=O)C)/c2=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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-5-29-18-8-6-17(7-9-18)21-24-23-26(25-21)22(28)19(31-23)12-16-10-13(2)20(14(3)11-16)30-15(4)27/h6-12H,5H2,1-4H3/b19-12+InChIKey
YAAZZGSKGGSVKS-XDHOZWIPSA-NSynonyms
(4((E)(2(4ETHOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)26DIMETHYLPHENYL)ACETATE
4((E)(2(4ethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)26dimethylphenylacetate
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)C)OC(=O)C)C)SC3=N2
CCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cc(C)c(c(c1)C)OC(=O)C)c2=O
InChI=1SC23H21N3O4Sc1529188617(7918)21242326(2521)22(28)19(3123)12161013(2)20(14(3)1116)3015(4)27h612H5H214H3b1912+
MFCD04442201
ZINC000016731395
ZINC16731395
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