Vitas-M small molecule compound
8-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK886970
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)OCc1ccccc1)c1ccc(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 C28H24ClN3O3S MW 518.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O3S/c1-34-26-13-20(7-12-25(26)35-16-19-5-3-2-4-6-19)23-14-27(33)32-17-31(18-36-28(32)24(23)15-30)22-10-8-21(29)9-11-22/h2-13,23H,14,16-18H2,1H3InChIKey
YWKOFBSZSVYIFK-UHFFFAOYSA-NSynonyms
3(4chlorophenyl)8(3methoxy4phenylmethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4(benzyloxy)3methoxyphenyl)3(4chlorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Cl)OCC5=CC=CC=C5
InChI=1SC28H24ClN3O3Sc134261320(71225(26)3516195324619)231427(33)321731(183628(32)24(23)1530)2210821(29)91122h21323H141618H21H3
MFCD10087668
ZINC000012251042
ZINC000012251043
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