Vitas-M small molecule compound

methyl (2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate

Catalog ID
STL397912
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)c2ccccc2Cl)/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 C26H19ClN2O5S MW 506.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O5S/c1-26-21(24(31)32-2)22(16-8-4-6-10-19(16)34-26)29-23(30)20(35-25(29)28-26)13-14-11-12-18(33-14)15-7-3-5-9-17(15)27/h3-13,21-22H,1-2H3/b20-13+
InChIKey
DXYFVPSVCTYQKT-DEDYPNTBSA-N
Synonyms

CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(O5)C6=CC=CC=C6Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)c2ccccc2Cl)s1
InChI=1SC26H19ClN2O5Sc12621(24(31)322)22(168461019(16)3426)2923(30)20(3525(29)2826)1314111218(3314)15735917(15)27h3132122H12H3b2013+
METHYL(2E)2((5(2CHLOROPHENYL)FURAN2YL)METHYLIDENE)5METHYL1OXO12DIHYDRO5H11H511METHANO(13)THIAZOLO(23D)(135)BENZOXADIAZOCINE13CARBOXYLATE
MFCD28952570
ZINC000104036778
ZINC000106003353

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Available files

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