Vitas-M small molecule compound
4-{(E)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Catalog ID
STK811198
SMILES CCC(N1C(=S)S/C(=C/c2ccc(cc2)OC(=O)C2C(C2(C)C)C=C(Cl)Cl)/C1=O)C
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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 C22H23Cl2NO3S2 MW 484.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO3S2/c1-5-12(2)25-19(26)16(30-21(25)29)10-13-6-8-14(9-7-13)28-20(27)18-15(11-17(23)24)22(18,3)4/h6-12,15,18H,5H2,1-4H3/b16-10+InChIKey
YDVDPBCNHMNVHM-MHWRWJLKSA-NSynonyms
(4((E)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3(22DICHLOROETHENYL)22DIMETHYLCYCLOPROPANE1CARBOXYLATE
4((E)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3(22dichloroethenyl)22dimethylcyclopropanecarboxylate
CCC(C)N1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3C(C3(C)C)C=C(Cl)Cl)SC1=S
CCC(N1C(=S)SC(=Cc2ccc(cc2)OC(=O)C2C(C2(C)C)C=C(Cl)Cl)C1=O)C
InChI=1SC22H23Cl2NO3S2c1512(2)2519(26)16(3021(25)29)10136814(9713)2820(27)1815(1117(23)24)22(183)4h6121518H5H214H3b1610+
MFCD06264828
ZINC000016713582
ZINC000035974760
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