Vitas-M small molecule compound
8-chloro-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141948
SMILES COc1ccc(cc1)NC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Cl)cc1)c1ccccc1
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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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-25-21(23(30)27-16-9-11-18(31-2)12-10-16)22(19-14-15(26)8-13-20(19)32-25)28-24(33)29(25)17-6-4-3-5-7-17/h3-14,21-22H,1-2H3,(H,27,30)(H,28,33)InChIKey
WJSBSGIBVNZEKI-UHFFFAOYSA-NSynonyms
1022253-48-01022253480
8chloroN(4methoxyphenyl)2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C=CC(=C3)Cl)NC(=S)N2C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)OC
InChI=1SC25H22ClN3O3Sc12521(23(30)271691118(312)121016)22(191415(26)81320(19)3225)2824(33)29(25)176435717h3142122H12H3(H2730)(H2833)
MFCD15085995
ZINC000104785879
ZINC000104785882
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