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-propyl-1,3-dihydro-2H-indol-2-one

Catalog ID
STK800982
SMILES CCCN1c2ccc(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 C23H19BrN4O4S MW 527.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O4S/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/h5-8,10-11H,4,9H2,1-3H3/b19-18-
InChIKey
RSPSXMQRYGVMKS-HNENSFHCSA-N
Synonyms

(3Z)5bromo3(2(34dimethoxyphenyl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1propyl13dihydro2Hindol2one
(5Z)5(5bromo2oxo1propylindol3ylidene)2(34dimethoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N4C(=NC(=N4)C5=CC(=C(C=C5)OC)OC)S3)C1=O
CCCN1c2ccc(cc2C(=c2sc3n(c2=O)nc(n3)c2ccc(c(c2)OC)OC)C1=O)Br
InChI=1SC23H19BrN4O4Sc14927157613(24)1114(15)18(21(27)29)1922(30)2823(3319)2520(2628)125816(312)17(1012)323h581011H49H213H3b1918
MFCD04447224
ZINC000098046601
ZINC98046601

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Available files

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