Vitas-M small molecule compound
2-(benzylsulfanyl)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK836421
SMILES CCn1c(SCc2ccccc2)nc2c(c1=O)C1(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 C26H28N2OS MW 416.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2OS/c1-2-28-24(29)22-23(27-25(28)30-18-19-11-5-3-6-12-19)21-14-8-7-13-20(21)17-26(22)15-9-4-10-16-26/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3InChIKey
XCGKGZWNINADFQ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)3ethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3ethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3ETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3ETHYL2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5
InChI=1SC26H28N2OSc122824(29)2223(2725(28)301819115361219)2114871320(21)1726(22)1594101626h3581114H249101518H21H3
MFCD01807045
ZINC000002237549
ZINC02237549
ZINC2237549
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