Vitas-M small molecule compound

2-(benzylamino)-4-(4-methoxyphenyl)-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide

Catalog ID
STK557091
SMILES COc1ccc(cc1)C1CC(=C(C(=O)C1)C(=S)Nc1ccccc1)NCc1ccccc1

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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 C27H26N2O2S MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2S/c1-31-23-14-12-20(13-15-23)21-16-24(28-18-19-8-4-2-5-9-19)26(25(30)17-21)27(32)29-22-10-6-3-7-11-22/h2-15,21,28H,16-18H2,1H3,(H,29,32)
InChIKey
JLGIREMWIKPHSD-UHFFFAOYSA-N
Synonyms
577997-29-6
2(benzylamino)4(4methoxyphenyl)6oxoNphenylcyclohex1ene1carbothioamide
2(BENZYLAMINO)4(4METHOXYPHENYL)6OXONPHENYLCYCLOHEXENE1CARBOTHIOAMIDE
5(benzylamino)4methoxy3oxoNphenyl1236tetrahydro(11biphenyl)4carbothioamide
577997296
COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C(=S)NC3=CC=CC=C3)NCC4=CC=CC=C4
InChI=1SC27H26N2O2Sc13123141220(131523)211624(2818198425919)26(25(30)1721)27(32)2922106371122h2152128H1618H21H3(H2932)
MFCD03627910
ZINC000100960859
ZINC000100960862

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Available files

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