Vitas-M small molecule compound
8-[4-(benzyloxy)phenyl]-3-(4-butylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886975
SMILES CCCCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)OCc1ccccc1
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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 C31H31N3O2S MW 509.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O2S/c1-2-3-7-23-10-14-26(15-11-23)33-21-34-30(35)18-28(29(19-32)31(34)37-22-33)25-12-16-27(17-13-25)36-20-24-8-5-4-6-9-24/h4-6,8-17,28H,2-3,7,18,20-22H2,1H3InChIKey
AVCXKGGWBQSLGJ-UHFFFAOYSA-NSynonyms
3(4butylphenyl)6oxo8(4phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)phenyl)3(4butylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCCCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI=1SC31H31N3O2Sc123723101426(151123)33213430(35)1828(29(1932)31(34)372233)25121627(171325)3620248546924h4681728H237182022H21H3
MFCD10087680
ZINC000012251050
ZINC000012251051
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