Vitas-M small molecule compound
2-[(2-chloro-4-{(Z)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-6-ethoxyphenoxy)methyl]benzonitrile
Catalog ID
STK178549
SMILES C#CCN1C(=O)S/C(=C\c2cc(Cl)c(c(c2)OCC)OCc2ccccc2C#N)/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 C23H17ClN2O4S MW 452.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4S/c1-3-9-26-22(27)20(31-23(26)28)12-15-10-18(24)21(19(11-15)29-4-2)30-14-17-8-6-5-7-16(17)13-25/h1,5-8,10-12H,4,9,14H2,2H3/b20-12-InChIKey
PIRDXQYKERROGD-NDENLUEZSA-NSynonyms
2((2CHLORO4((Z)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)6ETHOXYPHENOXY)METHYL)BENZONITRILE
2((2CHLORO4((Z)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)6ETHOXYPHENOXY)METHYL)BENZONITRILE
C#CCN1C(=O)SC(=Cc2cc(Cl)c(c(c2)OCC)OCc2ccccc2C#N)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC#C)Cl)OCC3=CC=CC=C3C#N
InChI=1SC23H17ClN2O4Sc1392622(27)20(3123(26)28)12151018(24)21(19(1115)2942)301417865716(17)1325h1581012H4914H22H3b2012
MFCD06663867
ZINC000013939680
ZINC13939680
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