Vitas-M small molecule compound
2-[(5E)-5-(4-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK702478
SMILES CCCCOc1ccc(cc1)/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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-3-4-13-29-17-11-9-16(10-12-17)14-20-22(28)26-23(31-20)24-21(25-26)18-7-5-6-8-19(18)30-15(2)27/h5-12,14H,3-4,13H2,1-2H3/b20-14+InChIKey
VKSPXHQQKHSMQO-XSFVSMFZSA-NSynonyms
(2((5E)5((4BUTOXYPHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(E)2(5(4butoxybenzylidene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5E)5(4butoxybenzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2
CCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC23H21N3O4Sc13413291711916(101217)142022(28)2623(3120)2421(2526)18756819(18)3015(2)27h51214H3413H212H3b2014+
MFCD02996540
ZINC000002305204
ZINC02305204
ZINC2305204
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