Vitas-M small molecule compound
(3Z)-5-bromo-1-ethyl-3-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Catalog ID
STK813529
SMILES CCCCCCCCN1C(=S)S/C(=C/2\C(=O)N(c3c2cc(Br)cc3)CC)/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 C21H25BrN2O2S2 MW 481.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O2S2/c1-3-5-6-7-8-9-12-24-20(26)18(28-21(24)27)17-15-13-14(22)10-11-16(15)23(4-2)19(17)25/h10-11,13H,3-9,12H2,1-2H3/b18-17-InChIKey
ONJAWHYQBWGACA-ZCXUNETKSA-NSynonyms
617697-79-7(3Z)5bromo1ethyl3(3octyl4oxo2thioxo13thiazolidin5ylidene)13dihydro2Hindol2one
(5Z)5(5BROMO1ETHYL2OXOINDOL3YLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
5(5BROMO1ETHYL2OXOINDOLIN3YLIDENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
617697797
CCCCCCCCN1C(=O)C(=C2C3=C(C=CC(=C3)Br)N(C2=O)CC)SC1=S
CCCCCCCCN1C(=S)SC(=C2C(=O)N(c3c2cc(Br)cc3)CC)C1=O
InChI=1SC21H25BrN2O2S2c1356789122420(26)18(2821(24)27)17151314(22)101116(15)23(42)19(17)25h101113H3912H212H3b1817
MFCD03534958
ZINC000100871531
ZINC100871531
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