Vitas-M small molecule compound
(5Z)-5-(4-butoxy-3-methoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815820
SMILES CCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
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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 C25H23N3O4S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S/c1-4-5-12-31-19-11-10-16(13-20(19)30-3)14-21-24(29)28-25(33-21)26-23(27-28)22-15(2)17-8-6-7-9-18(17)32-22/h6-11,13-14H,4-5,12H2,1-3H3/b21-14-InChIKey
DEQKAHOCAXDKLX-STZFKDTASA-NSynonyms
(5Z)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4butoxy3methoxybenzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2)OC
CCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC25H23N3O4Sc145123119111016(1320(19)303)142124(29)2825(3321)2623(2728)2215(2)17867918(17)3222h6111314H4512H213H3b2114
MFCD03533150
ZINC000016805621
ZINC16805621
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