Vitas-M small molecule compound
8-{4-[(2-chlorobenzyl)oxy]phenyl}-6-oxo-3-(2,4,6-trimethylphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887007
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)OCc1ccccc1Cl)c1c(C)cc(cc1C)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 C30H28ClN3O2S MW 530.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN3O2S/c1-19-12-20(2)29(21(3)13-19)33-17-34-28(35)14-25(26(15-32)30(34)37-18-33)22-8-10-24(11-9-22)36-16-23-6-4-5-7-27(23)31/h4-13,25H,14,16-18H2,1-3H3InChIKey
UWMTWVLGEFPCQA-UHFFFAOYSA-NSynonyms
8(4((2chlorobenzyl)oxy)phenyl)6oxo3(246trimethylphenyl)3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
8(4((2chlorophenyl)methoxy)phenyl)6oxo3(246trimethylphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC(=C(C(=C1)C)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl)C
InChI=1SC30H28ClN3O2Sc1191220(2)29(21(3)1319)33173428(35)1425(26(1532)30(34)371833)2281024(11922)361623645727(23)31h41325H141618H213H3
MFCD10087731
ZINC000098048449
ZINC000098048450
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