Vitas-M small molecule compound
8-[3-(benzyloxy)phenyl]-3-(4-bromophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886957
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)OCc1ccccc1)c1ccc(cc1)Br
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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 C27H22BrN3O2S MW 532.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O2S/c28-21-9-11-22(12-10-21)30-17-31-26(32)14-24(25(15-29)27(31)34-18-30)20-7-4-8-23(13-20)33-16-19-5-2-1-3-6-19/h1-13,24H,14,16-18H2InChIKey
WONIIQQJGROWJJ-UHFFFAOYSA-NSynonyms
3(4bromophenyl)6oxo8(3phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3(benzyloxy)phenyl)3(4bromophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
C1C(C(=C2N(C1=O)CN(CS2)C3=CC=C(C=C3)Br)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC27H22BrN3O2Sc282191122(121021)30173126(32)1424(25(1529)27(31)341830)2074823(1320)3316195213619h11324H141618H2
MFCD10087647
ZINC000098048423
ZINC000098048424
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