Vitas-M small molecule compound
3-(4-bromophenyl)-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
STK887073
SMILES CCOc1ccc(cc1OC)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(cc1)Br
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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 C23H22BrN3O3S MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O3S/c1-3-30-20-9-4-15(10-21(20)29-2)18-11-22(28)27-13-26(14-31-23(27)19(18)12-25)17-7-5-16(24)6-8-17/h4-10,18H,3,11,13-14H2,1-2H3InChIKey
KPIPIIAEEPUGJX-UHFFFAOYSA-NSynonyms
3(4bromophenyl)8(4ethoxy3methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4bromophenyl)8(4ethoxy3methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Br)OC
InChI=1SC23H22BrN3O3Sc1330209415(1021(20)292)181122(28)271326(143123(27)19(18)1225)177516(24)6817h41018H3111314H212H3
MFCD10087827
ZINC000009693277
ZINC000009693278
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