Vitas-M small molecule compound
2-bromo-6-ethoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methylbenzenesulfonate
Catalog ID
STK097564
SMILES C=CCN1C(=S)S/C(=C\c2cc(Br)c(c(c2)OCC)OS(=O)(=O)c2ccc(cc2)C)/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 C22H20BrNO5S3 MW 554.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5S3/c1-4-10-24-21(25)19(31-22(24)30)13-15-11-17(23)20(18(12-15)28-5-2)29-32(26,27)16-8-6-14(3)7-9-16/h4,6-9,11-13H,1,5,10H2,2-3H3/b19-13-InChIKey
LVHRLPRISDDLJT-UYRXBGFRSA-NSynonyms
(2BROMO6ETHOXY4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2BROMO6ETHOXY4((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
C=CCN1C(=S)SC(=Cc2cc(Br)c(c(c2)OCC)OS(=O)(=O)c2ccc(cc2)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OS(=O)(=O)C3=CC=C(C=C3)C
InChI=1SC22H20BrNO5S3c14102421(25)19(3122(24)30)13151117(23)20(18(1215)2852)2932(2627)168614(3)7916h4691113H1510H223H3b1913
MFCD03227422
STK097564
ZINC000097959435
ZINC97959435
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