Vitas-M small molecule compound
2-{(5Z)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Catalog ID
STK702127
SMILES COc1cc(ccc1OCCC(C)C)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-15(2)11-12-32-20-10-9-17(13-21(20)31-4)14-22-24(30)28-25(34-22)26-23(27-28)18-7-5-6-8-19(18)33-16(3)29/h5-10,13-15H,11-12H2,1-4H3/b22-14-InChIKey
BKQCQYAMFWXMBX-HMAPJEAMSA-NSynonyms
(2((5Z)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(E)2(5(4(isopentyloxy)3methoxybenzylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5(3methoxy4(3methylbutoxy)benzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2)OC
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC25H25N3O5Sc115(2)1112322010917(1321(20)314)142224(30)2825(3422)2623(2728)18756819(18)3316(3)29h5101315H1112H214H3b2214
MFCD03016878
ZINC000026687185
ZINC26687185
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