Vitas-M small molecule compound
3-ethyl-2-[(3-methylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK551466
SMILES CCn1c(SCc2cccc(c2)C)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 C27H30N2OS MW 430.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2OS/c1-3-29-25(30)23-24(28-26(29)31-18-20-11-9-10-19(2)16-20)22-13-6-5-12-21(22)17-27(23)14-7-4-8-15-27/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3InChIKey
IYXRNARZRHDQQT-UHFFFAOYSA-NSynonyms
839704-17-53ethyl2((3methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ethyl2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3ETHYL2((3METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
839704175
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC(=C5)C
InChI=1SC27H30N2OSc132925(30)2324(2826(29)3118201191019(2)1620)2213651221(22)1727(23)147481527h5691316H347814151718H212H3
MFCD03693608
ZINC000002255956
ZINC02255956
ZINC2255956
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