Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(3,5-dichlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886965
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)c1cc(Cl)cc(c1)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 C28H23Cl2N3O3S MW 552.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23Cl2N3O3S/c1-35-26-9-19(7-8-25(26)36-15-18-5-3-2-4-6-18)23-13-27(34)33-16-32(17-37-28(33)24(23)14-31)22-11-20(29)10-21(30)12-22/h2-12,23H,13,15-17H2,1H3InChIKey
XSOWPIBSXQBRFZ-UHFFFAOYSA-NSynonyms
3(35dichlorophenyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(35dichlorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC(=CC(=C4)Cl)Cl)OCC5=CC=CC=C5
InChI=1SC28H23Cl2N3O3Sc13526919(7825(26)3615185324618)231327(34)331632(173728(33)24(23)1431)221120(29)1021(30)1222h21223H131517H21H3
MFCD10087658
ZINC000098048429
ZINC000098048430
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