Vitas-M small molecule compound
(5Z)-5-(5-bromo-2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK078046
SMILES S=C1NC(=O)/C(=C/c2cc(Br)ccc2OCCOCCOc2ccc(cc2)C)/S1
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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 C21H20BrNO4S2 MW 494.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO4S2/c1-14-2-5-17(6-3-14)26-10-8-25-9-11-27-18-7-4-16(22)12-15(18)13-19-20(24)23-21(28)29-19/h2-7,12-13H,8-11H2,1H3,(H,23,24,28)/b19-13-InChIKey
OFMOJFRTFVRYIU-UYRXBGFRSA-NSynonyms
(5Z)5((5BROMO2(2(2(4METHYLPHENOXY)ETHOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(5BROMO2(2(2(4METHYLPHENOXY)ETHOXY)ETHOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=CC=C(C=C1)OCCOCCOC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)S3
InChI=1SC21H20BrNO4S2c1142517(6314)261082591127187416(22)1215(18)131920(24)2321(28)2919h271213H811H21H3(H232428)b1913
MFCD03227788
S=C1NC(=O)C(=Cc2cc(Br)ccc2OCCOCCOc2ccc(cc2)C)S1
STK078046
ZINC000013899577
ZINC13899577
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