Vitas-M small molecule compound
3-{[(2-chloro-3-methylphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Catalog ID
STK827125
SMILES O=C1OC2(CCCCC2)OC(=O)C1=CNc1cccc(c1Cl)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 C17H18ClNO4 MW 335.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClNO4/c1-11-6-5-7-13(14(11)18)19-10-12-15(20)22-17(23-16(12)21)8-3-2-4-9-17/h5-7,10,19H,2-4,8-9H2,1H3InChIKey
OVQMGBWSPCEXLX-UHFFFAOYSA-NSynonyms
3(((2chloro3methylphenyl)amino)methylidene)15dioxaspiro(55)undecane24dione
3((2chloro3methylanilino)methylidene)15dioxaspiro(55)undecane24dione
CC1=C(C(=CC=C1)NC=C2C(=O)OC3(CCCCC3)OC2=O)Cl
InChI=1SC17H18ClNO4c11165713(14(11)18)19101215(20)2217(2316(12)21)8324917h571019H2489H21H3
MFCD10087216
ZINC000012274930
ZINC12274930
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