Vitas-M small molecule compound
methyl 4-{(E)-[2-(4-ethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Catalog ID
STK814264
SMILES CCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C\c1ccc(cc1)C(=O)OC)/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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-3-28-16-10-8-14(9-11-16)18-22-21-24(23-18)19(25)17(29-21)12-13-4-6-15(7-5-13)20(26)27-2/h4-12H,3H2,1-2H3/b17-12+InChIKey
QDFDEZZXUMKARJ-SFQUDFHCSA-NSynonyms
606962-72-5606962725
CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)SC3=N2
CCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(cc1)C(=O)OC)s2
InChI=1SC21H17N3O4Sc13281610814(91116)18222124(2318)19(25)17(2921)12134615(7513)20(26)272h412H3H212H3b1712+
methyl4((E)(2(4ethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)methyl)benzoate
METHYL4((E)(2(4ETHOXYPHENYL)6OXO(13)THIAZOLO(32B)(124)TRIAZOL5YLIDENE)METHYL)BENZOATE
MFCD04442075
ZINC000006355374
ZINC06355374
ZINC6355374
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