Vitas-M small molecule compound

3-(cyclopentylmethyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK040657
SMILES CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCC1)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 C23H28N2OS MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2OS/c1-27-22-24-20-18-11-5-4-10-17(18)14-23(12-6-7-13-23)19(20)21(26)25(22)15-16-8-2-3-9-16/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3
InChIKey
UUEOQTLQBBCXQT-UHFFFAOYSA-N
Synonyms
337496-63-6
3(CYCLOPENTYLMETHYL)2(METHYLSULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3(CYCLOPENTYLMETHYL)2(METHYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
3(cyclopentylmethyl)2(methylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(CYCLOPENTYLMETHYL)2METHYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(CYCLOPENTYLMETHYL)2METHYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337496636
CSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52
CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCC1)CCCC3
InChI=1SC23H28N2OSc1272224201811541017(18)1423(12671323)19(20)21(26)25(22)1516823916h45101116H23691215H21H3
MFCD01416552
STK040657
ZINC000001875068
ZINC01875068
ZINC1875068

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Available files

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