Vitas-M small molecule compound

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

Catalog ID
STK047316
SMILES O=c1n(C)c(SCc2ccccc2)nc2c1C1(CCCCC1)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 C25H26N2OS MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2OS/c1-27-23(28)21-22(26-24(27)29-17-18-10-4-2-5-11-18)20-13-7-6-12-19(20)16-25(21)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey
GJVVEXOLUAEKGZ-UHFFFAOYSA-N
Synonyms
172984-38-2
172984382
2(BENZYLSULFANYL)3METHYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2(BENZYLSULFANYL)3METHYL46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(benzylthio)3methyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3METHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3METHYL2((PHENYLMETHYL)THIO)SPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)4(6H)ONE
CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5
InChI=1SC25H26N2OSc12723(28)2122(2624(27)291718104251118)2013761219(20)1625(21)148391525h2471013H3891417H21H3
MFCD00338998
O=c1n(C)c(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1
SPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)4(6H)ONE3METHYL2((PHENYLMETHYL)THIO)
STK047316
ZINC000002066641
ZINC02066641
ZINC2066641

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Available files

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