Vitas-M small molecule compound
8-[3-(benzyloxy)phenyl]-3-(2-ethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886959
SMILES CCOc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1)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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-2-34-27-14-7-6-13-26(27)31-19-32-28(33)16-24(25(17-30)29(32)36-20-31)22-11-8-12-23(15-22)35-18-21-9-4-3-5-10-21/h3-15,24H,2,16,18-20H2,1H3InChIKey
IKKRDXHOGMNVNW-UHFFFAOYSA-NSynonyms
3(2ethoxyphenyl)6oxo8(3phenylmethoxyphenyl)2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3(benzyloxy)phenyl)3(2ethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=CC=CC=C1N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5
InChI=1SC29H27N3O3Sc12342714761326(27)31193228(33)1624(25(1730)29(32)362031)221181223(1522)35182194351021h31524H2161820H21H3
MFCD10087649
ZINC000012251030
ZINC000012251031
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