Vitas-M small molecule compound
3-(4-butylphenyl)-8-{4-[(2-chlorobenzyl)oxy]phenyl}-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887010
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccccc1Cl
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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/c1-2-3-6-22-9-13-25(14-10-22)34-20-35-30(36)17-27(28(18-33)31(35)38-21-34)23-11-15-26(16-12-23)37-19-24-7-4-5-8-29(24)32/h4-5,7-16,27H,2-3,6,17,19-21H2,1H3InChIKey
DWUWTYMWUYOWAW-UHFFFAOYSA-NSynonyms
3(4butylphenyl)8(4((2chlorobenzyl)oxy)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4butylphenyl)8(4((2chlorophenyl)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=CC=C5Cl
InChI=1SC31H30ClN3O2Sc12362291325(141022)34203530(36)1727(28(1833)31(35)382134)23111526(161223)371924745829(24)32h4571627H236171921H21H3
MFCD10087735
ZINC000098048455
ZINC000098048456
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