Vitas-M small molecule compound

(3Z)-5-bromo-3-[2-(3,4-dimethoxyphenyl)-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
STK800981
SMILES C=CCN1c2ccc(cc2/C(=c\2/sc3n(c2=O)nc(n3)c2ccc(c(c2)OC)OC)/C1=O)Br

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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 C23H17BrN4O4S MW 525.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O4S/c1-4-9-27-15-7-6-13(24)11-14(15)18(21(27)29)19-22(30)28-23(33-19)25-20(26-28)12-5-8-16(31-2)17(10-12)32-3/h4-8,10-11H,1,9H2,2-3H3/b19-18-
InChIKey
GWXVXCUHBGXZOT-HNENSFHCSA-N
Synonyms

(3Z)5bromo3(2(34dimethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1(prop2en1yl)13dihydro2Hindol2one
(5Z)5(5bromo2oxo1prop2enylindol3ylidene)2(34dimethoxyphenyl)(13)thiazolo(32b)(124)triazol6one
C=CCN1c2ccc(cc2C(=c2sc3n(c2=O)nc(n3)c2ccc(c(c2)OC)OC)C1=O)Br
COC1=C(C=C(C=C1)C2=NN3C(=O)C(=C4C5=C(C=CC(=C5)Br)N(C4=O)CC=C)SC3=N2)OC
InChI=1SC23H17BrN4O4Sc14927157613(24)1114(15)18(21(27)29)1922(30)2823(3319)2520(2628)125816(312)17(1012)323h481011H19H223H3b1918
MFCD04447223
ZINC000003637537
ZINC3637537

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Available files

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