Vitas-M small molecule compound

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK698890
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Br)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 C27H25BrN2O2S MW 521.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O2S/c1-2-15-30-25(32)23-24(21-8-4-3-7-19(21)16-27(23)13-5-6-14-27)29-26(30)33-17-22(31)18-9-11-20(28)12-10-18/h2-4,7-12H,1,5-6,13-17H2
InChIKey
QLAKSPASADKVBW-UHFFFAOYSA-N
Synonyms
337487-47-5
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2(2(4BROMOPHENYL)2OXOETHYLTHIO)3PROP2ENYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337487475
3allyl2((2(4bromophenyl)2oxoethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br
InChI=1SC27H25BrN2O2Sc12153025(32)2324(21843719(21)1627(23)13561427)2926(30)331722(31)1891120(28)121018h24712H1561317H2
MFCD01879458
ZINC000002275079
ZINC02275079
ZINC2275079

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Available files

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