Vitas-M small molecule compound
ethyl 4-[10-(4-chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]benzoate
Catalog ID
STL003257
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(c1ccc(cc1)Cl)c1c(S2)[nH]c(=O)s1
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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 C28H23ClN2O5S2 MW 567.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O5S2/c1-2-36-27(34)13-5-9-15(10-6-13)31-25(32)20-16-11-17(21(20)26(31)33)22-19(16)18(12-3-7-14(29)8-4-12)23-24(37-22)30-28(35)38-23/h3-10,16-22H,2,11H2,1H3,(H,30,35)InChIKey
YUCLXAXGOLLGEG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(C6=C(S5)NC(=O)S6)C7=CC=C(C=C7)Cl
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2C(C1=O)C1CC2(C@H)2C1C(c1ccc(cc1)Cl)c1c(S2)(nH)c(=O)s1
CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(c1ccc(cc1)Cl)c1c(S2)(nH)c(=O)s1
ethyl4((4aR5R5aR8aR9S9aR)10(4chlorophenyl)268trioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)benzoate
ethyl4(10(4chlorophenyl)268trioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)benzoate
InChI=1SC28H23ClN2O5S2c123627(34)135915(10613)3125(32)20161117(21(20)26(31)33)2219(16)18(123714(29)8412)2324(3722)3028(35)3823h3101622H211H21H3(H3035)
MFCD05736571
ZINC000245242090
ZINC000245242093
Check stock
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Check stock on Vitas-MAvailable files
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