Vitas-M small molecule compound

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

Catalog ID
STK021188
SMILES CCCCSc1nc2c3ccccc3CC3(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 C26H34N2OS MW 422.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2OS/c1-2-3-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-9-15-26)22(23)24(29)28(25)18-19-10-4-5-11-19/h6-7,12-13,19H,2-5,8-11,14-18H2,1H3
InChIKey
VYQGBELCEXOGLW-UHFFFAOYSA-N
Synonyms
337496-66-9
2(BUTYLSULFANYL)3(CYCLOPENTYLMETHYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
2(BUTYLSULFANYL)3(CYCLOPENTYLMETHYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2(butylthio)3(cyclopentylmethyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BUTYLSULFANYL3(CYCLOPENTYLMETHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2BUTYLTHIO3(CYCLOPENTYLMETHYL)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337496669
CCCCSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52
CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCC1)CCCC3
InChI=1SC26H34N2OSc12316302527232113761220(21)1726(14891526)22(23)24(29)28(25)181910451119h67121319H258111418H21H3
MFCD01416437
STK021188
ZINC000001787156
ZINC01787156
ZINC1787156

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Available files

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