Vitas-M small molecule compound

(5E)-5-(3-ethoxy-4-propoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK814165
SMILES CCCOc1ccc(cc1OCC)/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/c1-4-12-31-19-11-10-16(13-20(19)30-5-2)14-21-24(29)28-25(33-21)26-23(27-28)22-15(3)17-8-6-7-9-18(17)32-22/h6-11,13-14H,4-5,12H2,1-3H3/b21-14+
InChIKey
YQDNWMISUDCUNQ-KGENOOAVSA-N
Synonyms
618078-25-4
(5E)5((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)2(3METHYL1BENZOFURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(3ethoxy4propoxybenzylidene)2(3methyl1benzofuran2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(E)5(3ethoxy4propoxybenzylidene)2(3methylbenzofuran2yl)thiazolo(32b)(124)triazol6(5H)one
5(3ETHOXY4PROPOXYBENZYLIDENE)2(3METHYLBENZOFURAN2YL)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
618078254
CCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2)OCC
CCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1oc2c(c1C)cccc2
InChI=1SC25H23N3O4Sc14123119111016(1320(19)3052)142124(29)2825(3321)2623(2728)2215(3)17867918(17)3222h6111314H4512H213H3b2114+
MFCD03665831
ZINC000002374352
ZINC02374352
ZINC2374352

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Available files

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