Vitas-M small molecule compound
1-(2,5-dimethylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
Catalog ID
STL022447
SMILES N#CC1=C(S)N(C2(NC1=O)CCCCC2)c1cc(C)ccc1C
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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 C18H21N3OS MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3OS/c1-12-6-7-13(2)15(10-12)21-17(23)14(11-19)16(22)20-18(21)8-4-3-5-9-18/h6-7,10,23H,3-5,8-9H2,1-2H3,(H,20,22)InChIKey
JYQCKPSVBQMFIQ-UHFFFAOYSA-NSynonyms
1(25dimethylphenyl)4oxo2sulfanyl15diazaspiro(55)undec2ene3carbonitrile
11(25DIMETHYLPHENYL)8OXO10SULFANYL711DIAZASPIRO(55)UNDEC9ENE9CARBONITRILE
5(25dimethylphenyl)2oxo4sulfanyl15diazaspiro(55)undec3ene3carbonitrile
CC1=CC(=C(C=C1)C)N2C(=C(C(=O)NC23CCCCC3)C#N)S
InChI=1SC18H21N3OSc1126713(2)15(1012)2117(23)14(1119)16(22)2018(21)8435918h671023H3589H212H3(H2022)
MFCD06641756
ZINC000001893336
ZINC01893336
ZINC1893336
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