Vitas-M small molecule compound
3-benzyl-8-(4-ethoxy-3-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887068
SMILES CCOc1ccc(cc1OC)C1CC(=O)N2C(=C1C#N)SCN(C2)Cc1ccccc1
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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 C24H25N3O3S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3S/c1-3-30-21-10-9-18(11-22(21)29-2)19-12-23(28)27-15-26(14-17-7-5-4-6-8-17)16-31-24(27)20(19)13-25/h4-11,19H,3,12,14-16H2,1-2H3InChIKey
NKEPSBREXLPPTG-UHFFFAOYSA-NSynonyms
3benzyl8(4ethoxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3benzyl8(4ethoxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CC=C4)OC
InChI=1SC24H25N3O3Sc13302110918(1122(21)292)191223(28)271526(14177546817)163124(27)20(19)1325h41119H3121416H212H3
MFCD10087819
ZINC000020238076
ZINC000020238079
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