Vitas-M small molecule compound

3-(2-methylprop-2-en-1-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK805546
SMILES CC(=C)Cn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

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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 C28H28N2O2S MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2S/c1-19(2)17-30-26(32)24-25(29-27(30)33-18-23(31)20-10-4-3-5-11-20)22-13-7-6-12-21(22)16-28(24)14-8-9-15-28/h3-7,10-13H,1,8-9,14-18H2,2H3
InChIKey
OKCKVANWUBAZAF-UHFFFAOYSA-N
Synonyms
370840-65-6
3(2methylallyl)2((2oxo2phenylethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(2methylprop2en1yl)2((2oxo2phenylethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(2METHYLPROP2ENYL)2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
370840656
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=CC=C5
InChI=1SC28H28N2O2Sc119(2)173026(32)2425(2927(30)331823(31)20104351120)2213761221(22)1628(24)14891528h371013H1891418H22H3
MFCD01558306
ZINC000002230041
ZINC02230041
ZINC2230041

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Available files

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