Vitas-M small molecule compound

ethyl 6'-methyl-4'-{[(phenylcarbonyl)carbamothioyl]amino}-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxylate

Catalog ID
STK539942
SMILES CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2cc(C)ccc2CC21CCCCC2

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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 C27H30N2O3S MW 462.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3S/c1-3-32-25(31)22-23(28-26(33)29-24(30)19-10-6-4-7-11-19)21-16-18(2)12-13-20(21)17-27(22)14-8-5-9-15-27/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3,(H2,28,29,30,33)
InChIKey
VDNVUNMTJIKGKL-UHFFFAOYSA-N
Synonyms
385389-48-0
385389480
CCOC(=O)C1=C(C2=C(CC13CCCCC3)C=CC(=C2)C)NC(=S)NC(=O)C4=CC=CC=C4
ETHYL1(BENZOYLCARBAMOTHIOYLAMINO)7METHYLSPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXYLATE
ETHYL4((BENZOYLCARBAMOTHIOYL)AMINO)6METHYL1HSPIRO(CYCLOHEXANE12NAPHTHALENE)3CARBOXYLATE
ethyl4(3benzoylthioureido)6methyl1Hspiro(cyclohexane12naphthalene)3carboxylate
ethyl6methyl4(((phenylcarbonyl)carbamothioyl)amino)1Hspiro(cyclohexane12naphthalene)3carboxylate
InChI=1SC27H30N2O3Sc133225(31)2223(2826(33)2924(30)19106471119)211618(2)121320(21)1727(22)148591527h467101316H3589141517H212H3(H228293033)
MFCD03285629
ZINC000001819376
ZINC01819376
ZINC1819376

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.