Vitas-M small molecule compound

2-[(3-chloropropyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK531754
SMILES ClCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3

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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 C27H29ClN2O2S MW 481.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O2S/c1-32-21-12-10-20(11-13-21)30-25(31)23-24(29-26(30)33-17-7-16-28)22-9-4-3-8-19(22)18-27(23)14-5-2-6-15-27/h3-4,8-13H,2,5-7,14-18H2,1H3
InChIKey
FJFAYCCVRPHZPJ-UHFFFAOYSA-N
Synonyms

2((3chloropropyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3chloropropyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3CHLOROPROPYLSULFANYL)3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCCCl
InChI=1SC27H29ClN2O2Sc13221121020(111321)3025(31)2324(2926(30)331771628)22943819(22)1827(23)145261527h34813H2571418H21H3
MFCD02997492
ZINC000002306803
ZINC02306803
ZINC2306803

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Available files

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