Vitas-M small molecule compound
methyl 4-chloro-2-({(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}amino)benzoate
Catalog ID
STK991781
SMILES COC(=O)c1ccc(cc1N/C=C/1\SC(=S)N(C1=O)CC1CCCO1)Cl
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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 C17H17ClN2O4S2 MW 412.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O4S2/c1-23-16(22)12-5-4-10(18)7-13(12)19-8-14-15(21)20(17(25)26-14)9-11-3-2-6-24-11/h4-5,7-8,11,19H,2-3,6,9H2,1H3/b14-8-InChIKey
XVMHMFPFLUCCCN-ZSOIEALJSA-NSynonyms
(Z)methyl4chloro2(((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)amino)benzoate
COC(=O)C1=C(C=C(C=C1)Cl)NC=C2C(=O)N(C(=S)S2)CC3CCCO3
COC(=O)c1ccc(cc1NC=C1SC(=S)N(C1=O)CC1CCCO1)Cl
InChI=1SC17H17ClN2O4S2c12316(22)125410(18)713(12)1981415(21)20(17(25)2614)9113262411h45781119H2369H21H3b148
methyl4chloro2(((Z)(4oxo3(oxolan2ylmethyl)2sulfanylidene13thiazolidin5ylidene)methyl)amino)benzoate
methyl4chloro2(((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)amino)benzoate
MFCD09849455
ZINC000101491486
ZINC000101491488
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