Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886993
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1)c1ccc(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 C27H22ClN3O2S MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S/c28-21-8-10-22(11-9-21)30-17-31-26(32)14-24(25(15-29)27(31)34-18-30)20-6-12-23(13-7-20)33-16-19-4-2-1-3-5-19/h1-13,24H,14,16-18H2InChIKey
HGENJIDZTYEFFT-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(4chlorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
C1C(C(=C2N(C1=O)CN(CS2)C3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC27H22ClN3O2Sc282181022(11921)30173126(32)1424(25(1529)27(31)341830)2061223(13720)3316194213519h11324H141618H2
MFCD10087715
ZINC000012251072
ZINC000012251073
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