Vitas-M small molecule compound
1-(2-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile
Catalog ID
STL017295
SMILES N#CC1=C(S)N(C2(NC1=O)CCCCC2)c1ccccc1C
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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/c1-12-7-3-4-8-14(12)20-16(22)13(11-18)15(21)19-17(20)9-5-2-6-10-17/h3-4,7-8,22H,2,5-6,9-10H2,1H3,(H,19,21)InChIKey
MKIPJMXZSCYPBN-UHFFFAOYSA-NSynonyms
1(2methylphenyl)4oxo2sulfanyl15diazaspiro(55)undec2ene3carbonitrile
11(2METHYLPHENYL)8OXO10SULFANYL711DIAZASPIRO(55)UNDEC9ENE9CARBONITRILE
2MERCAPTO4OXO1OTOLYL15DIAZASPIRO(55)UNDEC2ENE3CARBONITRILE
5(2methylphenyl)2oxo4sulfanyl15diazaspiro(55)undec3ene3carbonitrile
CC1=CC=CC=C1N2C(=C(C(=O)NC23CCCCC3)C#N)S
InChI=1SC17H19N3OSc112734814(12)2016(22)13(1118)15(21)1917(20)95261017h347822H256910H21H3(H1921)
MFCD05739291
ZINC000000352260
ZINC352260
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