Vitas-M small molecule compound

(3Z)-3-{2-[4-(2-methylpropoxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one

Catalog ID
STK812612
SMILES C=CCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccc(cc2)OCC(C)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/c1-4-13-28-19-8-6-5-7-18(19)20(23(28)30)21-24(31)29-25(33-21)26-22(27-29)16-9-11-17(12-10-16)32-14-15(2)3/h4-12,15H,1,13-14H2,2-3H3/b21-20-
InChIKey
FTHTWSIBDVNKMR-MRCUWXFGSA-N
Synonyms

(3Z)3(2(4(2methylpropoxy)phenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1(prop2en1yl)13dihydro2Hindol2one
(5Z)2(4(2methylpropoxy)phenyl)5(2oxo1prop2enylindol3ylidene)(13)thiazolo(32b)(124)triazol6one
C=CCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)c2ccc(cc2)OCC(C)C)C1=O
CC(C)COC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC=C)SC3=N2
InChI=1SC25H22N4O3Sc14132819865718(19)20(23(28)30)2124(31)2925(3321)2622(2729)1691117(121016)321415(2)3h41215H11314H223H3b2120
MFCD04445857
ZINC000016728999
ZINC16728999

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Available files

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