Vitas-M small molecule compound

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

Catalog ID
STK087962
SMILES O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCC3

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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 C25H24N2O2S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O2S/c1-27-23(29)21-22(26-24(27)30-16-20(28)17-9-3-2-4-10-17)19-12-6-5-11-18(19)15-25(21)13-7-8-14-25/h2-6,9-12H,7-8,13-16H2,1H3
InChIKey
UYCYKQWCXZVPSE-UHFFFAOYSA-N
Synonyms
330829-44-2
330829442
3METHYL2((2OXO2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3methyl2((2oxo2phenylethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3METHYL2(2OXO2PHENYLETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3METHYL2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=CC=C5
InChI=1SC25H24N2O2Sc12723(29)2122(2624(27)301620(28)1793241017)1912651118(19)1525(21)13781425h26912H781316H21H3
MFCD01558812
O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCC3
STK087962
ZINC000000857340
ZINC00857340
ZINC857340

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Available files

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