Vitas-M small molecule compound
1-(3-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
Catalog ID
STL021456
SMILES N#CC1=C(S)N(C2(NC1=O)CCCCC2)c1cccc(c1)C
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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 C17H19N3OS MW 313.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3OS/c1-12-6-5-7-13(10-12)20-16(22)14(11-18)15(21)19-17(20)8-3-2-4-9-17/h5-7,10,22H,2-4,8-9H2,1H3,(H,19,21)InChIKey
VVNHMRWOYBFSMA-UHFFFAOYSA-NSynonyms
1(3methylphenyl)4oxo2sulfanyl15diazaspiro(55)undec2ene3carbonitrile
11(3METHYLPHENYL)8OXO10SULFANYL711DIAZASPIRO(55)UNDEC9ENE9CARBONITRILE
2MERCAPTO4OXO1MTOLYL15DIAZASPIRO(55)UNDEC2ENE3CARBONITRILE
5(3methylphenyl)2oxo4sulfanyl15diazaspiro(55)undec3ene3carbonitrile
CC1=CC(=CC=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S
InChI=1SC17H19N3OSc11265713(1012)2016(22)14(1118)15(21)1917(20)8324917h571022H2489H21H3(H1921)
MFCD05668612
ZINC000000352239
ZINC00352239
ZINC352239
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