Vitas-M small molecule compound
8-{4-[(4-chlorobenzyl)oxy]phenyl}-3-(2-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887013
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24ClN3O3S MW 518.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O3S/c1-34-26-5-3-2-4-25(26)31-17-32-27(33)14-23(24(15-30)28(32)36-18-31)20-8-12-22(13-9-20)35-16-19-6-10-21(29)11-7-19/h2-13,23H,14,16-18H2,1H3InChIKey
GPUMHMZOLJXSHB-UHFFFAOYSA-NSynonyms
8(4((4chlorobenzyl)oxy)phenyl)3(2methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((4chlorophenyl)methoxy)phenyl)3(2methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
COC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI=1SC28H24ClN3O3Sc13426532425(26)31173227(33)1423(24(1530)28(32)361831)2081222(13920)35161961021(29)11719h21323H141618H21H3
MFCD10087740
ZINC000012251094
ZINC000012251095
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