Vitas-M small molecule compound
ethyl 4-[8-{4-[(4-chlorobenzyl)oxy]phenyl}-9-cyano-6-oxo-7,8-dihydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazin-3(4H)-yl]benzoate
Catalog ID
STK827399
SMILES CCOC(=O)c1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccc(cc1)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 C30H26ClN3O4S MW 560.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O4S/c1-2-37-30(36)22-5-11-24(12-6-22)33-18-34-28(35)15-26(27(16-32)29(34)39-19-33)21-7-13-25(14-8-21)38-17-20-3-9-23(31)10-4-20/h3-14,26H,2,15,17-19H2,1H3InChIKey
NLAKDEDSYZSUHM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
ethyl4(8(4((4chlorobenzyl)oxy)phenyl)9cyano6oxo78dihydro2H6Hpyrido(21b)(135)thiadiazin3(4H)yl)benzoate
ethyl4(8(4((4chlorophenyl)methoxy)phenyl)9cyano6oxo2478tetrahydropyrido(21b)(135)thiadiazin3yl)benzoate
InChI=1SC30H26ClN3O4Sc123730(36)2251124(12622)33183428(35)1526(27(1632)29(34)391933)2171325(14821)3817203923(31)10420h31426H2151719H21H3
MFCD10087762
ZINC000098048481
ZINC000098048482
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