Vitas-M small molecule compound
2-[(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK703041
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1
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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 C32H27N5O4S MW 577.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O4S/c1-3-4-18-40-25-16-14-22(15-17-25)29-23(20-36(34-29)24-10-6-5-7-11-24)19-28-31(39)37-32(42-28)33-30(35-37)26-12-8-9-13-27(26)41-21(2)38/h5-17,19-20H,3-4,18H2,1-2H3/b28-19-InChIKey
BNJKDIVAAFXWHZ-USHMODERSA-NSynonyms
(2((5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5OC(=O)C)S3)C6=CC=CC=C6
CCCCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1
InChI=1SC32H27N5O4Sc134184025161422(151725)2923(2036(3429)24106571124)192831(39)3732(4228)3330(3537)2612891327(26)4121(2)38h5171920H3418H212H3b2819
MFCD02991776
ZINC000097999497
ZINC97999497
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