Vitas-M small molecule compound
4-[(5Z)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3-methoxyphenyl)butanamide
Catalog ID
STK994545
SMILES COc1cccc(c1)NC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)Br)/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 C21H19BrN2O3S2 MW 491.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O3S2/c1-27-17-5-2-4-16(13-17)23-19(25)6-3-11-24-20(26)18(29-21(24)28)12-14-7-9-15(22)10-8-14/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)/b18-12-InChIKey
UCAZNPQBRRJXEQ-PDGQHHTCSA-NSynonyms
4((5Z)5((4bromophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)N(3methoxyphenyl)butanamide
4((5Z)5(4bromobenzylidene)4oxo2thioxo13thiazolidin3yl)N(3methoxyphenyl)butanamide
COC1=CC=CC(=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=S
COc1cccc(c1)NC(=O)CCCN1C(=S)SC(=Cc2ccc(cc2)Br)C1=O
InChI=1SC21H19BrN2O3S2c1271752416(1317)2319(25)63112420(26)18(2921(24)28)12147915(22)10814h2457101213H3611H21H3(H2325)b1812
MFCD02655297
ZINC000008871687
ZINC08871687
ZINC8871687
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