Vitas-M small molecule compound
(3Z)-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1-propyl-1,3-dihydro-2H-indol-2-one
Catalog ID
STK818514
SMILES CCCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\1/c3ccccc3N(C1=O)CCC)/c2=O
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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-3-5-6-9-17-34-19-14-12-18(13-15-19)24-28-27-31(29-24)26(33)23(35-27)22-20-10-7-8-11-21(20)30(16-4-2)25(22)32/h7-8,10-15H,3-6,9,16-17H2,1-2H3/b23-22-InChIKey
DXXHCEMMKFRRRL-FCQUAONHSA-NSynonyms
(3Z)3(2(4(hexyloxy)phenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1propyl13dihydro2Hindol2one
(5Z)2(4hexoxyphenyl)5(2oxo1propylindol3ylidene)(13)thiazolo(32b)(124)triazol6one
CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CCC)SC3=N2
CCCCCCOc1ccc(cc1)c1nn2c(n1)sc(=C1c3ccccc3N(C1=O)CCC)c2=O
InChI=1SC27H28N4O3Sc13569173419141218(131519)24282731(2924)26(33)23(3527)222010781121(20)30(1642)25(22)32h781015H3691617H212H3b2322
MFCD06308527
ZINC000003649549
ZINC03649549
ZINC3649549
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