Vitas-M small molecule compound
(3Z)-1-butyl-3-{6-oxo-2-[4-(prop-2-en-1-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
Catalog ID
STK818009
SMILES CCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccc(cc2)OCC=C)/C1=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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-3-5-14-28-19-9-7-6-8-18(19)20(23(28)30)21-24(31)29-25(33-21)26-22(27-29)16-10-12-17(13-11-16)32-15-4-2/h4,6-13H,2-3,5,14-15H2,1H3/b21-20-InChIKey
ALEHEOSWAYROGH-MRCUWXFGSA-NSynonyms
(3Z)1butyl3(6oxo2(4(prop2en1yloxy)phenyl)(13)thiazolo(32b)(124)triazol5(6H)ylidene)13dihydro2Hindol2one
(5Z)5(1butyl2oxoindol3ylidene)2(4prop2enoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC=C)S3)C1=O
CCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)c2ccc(cc2)OCC=C)C1=O
InChI=1SC25H22N4O3Sc135142819976818(19)20(23(28)30)2124(31)2925(3321)2622(2729)16101217(131116)321542h4613H2351415H21H3b2120
MFCD04447681
ZINC000016736659
ZINC16736659
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