Vitas-M small molecule compound

N-(4-bromophenyl)-6-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]hexanamide

Catalog ID
STK994808
SMILES O=C(Nc1ccc(cc1)Br)CCCCCN1C(=S)S/C(=C/c2cccs2)/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 C20H19BrN2O2S3 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O2S3/c21-14-7-9-15(10-8-14)22-18(24)6-2-1-3-11-23-19(25)17(28-20(23)26)13-16-5-4-12-27-16/h4-5,7-10,12-13H,1-3,6,11H2,(H,22,24)/b17-13+
InChIKey
KOHUOQLICJFKDI-GHRIWEEISA-N
Synonyms

C1=CSC(=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC=C(C=C3)Br
InChI=1SC20H19BrN2O2S3c21147915(10814)2218(24)6213112319(25)17(2820(23)26)131654122716h457101213H13611H2(H2224)b1713+
MFCD05151263
N(4bromophenyl)6((5E)4oxo2sulfanylidene5(thiophen2ylmethylidene)13thiazolidin3yl)hexanamide
N(4bromophenyl)6((5E)4oxo5(thiophen2ylmethylidene)2thioxo13thiazolidin3yl)hexanamide
N(4BROMOPHENYL)6(4OXO5(2THIENYLMETHYLENE)2THIOXO(13THIAZOLIDIN3YL))HEXANAMIDE
O=C(Nc1ccc(cc1)Br)CCCCCN1C(=S)SC(=Cc2cccs2)C1=O
ZINC000002381815
ZINC02381815
ZINC2381815

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.