Vitas-M small molecule compound
2-{[(4,4-diphenyl-4H-3,1-benzoxazin-2-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Catalog ID
STK773638
SMILES N#Cc1c(C)cc(nc1SCC1=Nc2ccccc2C(O1)(c1ccccc1)c1ccccc1)C
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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 C29H23N3OS MW 461.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3OS/c1-20-17-21(2)31-28(24(20)18-30)34-19-27-32-26-16-10-9-15-25(26)29(33-27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-17H,19H2,1-2H3InChIKey
XVHNHSDWXODEOS-UHFFFAOYSA-NSynonyms
2(((44diphenyl4H31benzoxazin2yl)methyl)sulfanyl)46dimethylpyridine3carbonitrile
2((44DIPHENYL31BENZOXAZIN2YL)METHYLSULFANYL)46DIMETHYLPYRIDINE3CARBONITRILE
CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI=1SC29H23N3OSc1201721(2)3128(24(20)1830)3419273226161091525(26)29(332722115361222)23137481423h317H19H212H3
MFCD03855212
ZINC000005941671
ZINC05941671
ZINC5941671
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