Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192556
SMILES COc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)c1ccc(cc1)F
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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 C27H26FN3O3S MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O3S/c1-15-5-11-21(16(2)13-15)29-25(32)23-24-20-14-19(33-4)10-12-22(20)34-27(23,3)31(26(35)30-24)18-8-6-17(28)7-9-18/h5-14,23-24H,1-4H3,(H,29,32)(H,30,35)InChIKey
WASYRBPGYQTQPF-UHFFFAOYSA-NSynonyms
1022357-79-41022357794
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)OC)OC2(N(C(=S)N3)C5=CC=C(C=C5)F)C)C
InChI=1SC27H26FN3O3Sc11551121(16(2)1315)2925(32)2324201419(334)101222(20)3427(233)31(26(35)3024)188617(28)7918h5142324H14H3(H2932)(H3035)
MFCD15086018
N(24dimethylphenyl)3(4fluorophenyl)8methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000002962925
ZINC000033703657
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