Vitas-M small molecule compound

(3Z)-5-bromo-3-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-pentyl-1,3-dihydro-2H-indol-2-one

Catalog ID
STK814310
SMILES CCCCCCN1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)CCCCC)/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 C22H27BrN2O2S2 MW 495.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27BrN2O2S2/c1-3-5-7-9-13-25-21(27)19(29-22(25)28)18-16-14-15(23)10-11-17(16)24(20(18)26)12-8-6-4-2/h10-11,14H,3-9,12-13H2,1-2H3/b19-18-
InChIKey
QKQUDZCSPUMAMO-HNENSFHCSA-N
Synonyms
618081-46-2
(3Z)5bromo3(3hexyl4oxo2thioxo13thiazolidin5ylidene)1pentyl13dihydro2Hindol2one
(5Z)5(5BROMO2OXO1PENTYLINDOL3YLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
5(5BROMO2OXO1PENTYLINDOLIN3YLIDENE)3HEXYL2THIOXOTHIAZOLIDIN4ONE
618081462
CCCCCCN1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CCCCC)SC1=S
CCCCCCN1C(=S)SC(=C2c3cc(Br)ccc3N(C2=O)CCCCC)C1=O
InChI=1SC22H27BrN2O2S2c13579132521(27)19(2922(25)28)18161415(23)101117(16)24(20(18)26)128642h101114H391213H212H3b1918
MFCD04442104
ZINC000016730972
ZINC16730972

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Available files

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