Vitas-M small molecule compound

3-(4-butylphenyl)-8-{4-[(4-chlorobenzyl)oxy]phenyl}-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK827394
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccc(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 C31H30ClN3O2S MW 544.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O2S/c1-2-3-4-22-7-13-26(14-8-22)34-20-35-30(36)17-28(29(18-33)31(35)38-21-34)24-9-15-27(16-10-24)37-19-23-5-11-25(32)12-6-23/h5-16,28H,2-4,17,19-21H2,1H3
InChIKey
AVBLUUNYORGFAU-UHFFFAOYSA-N
Synonyms

3(4butylphenyl)8(4((4chlorobenzyl)oxy)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)8(4((4chlorophenyl)methoxy)phenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
InChI=1SC31H30ClN3O2Sc12342271326(14822)34203530(36)1728(29(1833)31(35)382134)2491527(161024)37192351125(32)12623h51628H24171921H21H3
MFCD10087752
ZINC000098048477
ZINC000098048478

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Available files

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