Vitas-M small molecule compound
2-chloro-6-ethoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Catalog ID
STK117739
SMILES C=CCN1C(=S)S/C(=C\c2cc(Cl)c(c(c2)OCC)OC(=O)c2cccc(c2)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 C23H20ClNO4S2 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClNO4S2/c1-4-9-25-21(26)19(31-23(25)30)13-15-11-17(24)20(18(12-15)28-5-2)29-22(27)16-8-6-7-14(3)10-16/h4,6-8,10-13H,1,5,9H2,2-3H3/b19-13-InChIKey
LYMGRFFCZRQYGL-UYRXBGFRSA-NSynonyms
(2CHLORO6ETHOXY4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3METHYLBENZOATE
2CHLORO6ETHOXY4((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL3METHYLBENZOATE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OC(=O)c2cccc(c2)C)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OC(=O)C3=CC(=CC=C3)C
InChI=1SC23H20ClNO4S2c1492521(26)19(3123(25)30)13151117(24)20(18(1215)2852)2922(27)1686714(3)1016h4681013H159H223H3b1913
MFCD02901005
ZINC000009805488
ZINC09805488
ZINC9805488
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