Vitas-M small molecule compound

3-butyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK555003
SMILES CCCCn1c(SCC(=O)c2cccs2)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 C27H30N2O2S2 MW 478.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S2/c1-2-3-15-29-25(31)23-24(28-26(29)33-18-21(30)22-12-9-16-32-22)20-11-6-5-10-19(20)17-27(23)13-7-4-8-14-27/h5-6,9-12,16H,2-4,7-8,13-15,17-18H2,1H3
InChIKey
AEFNJNYAMVWKCY-UHFFFAOYSA-N
Synonyms
840496-53-9
3butyl2((2oxo2(thiophen2yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3butyl2((2oxo2(thiophen2yl)ethyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BUTYL2(2OXO2THIOPHEN2YLETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
840496539
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=CS5
InChI=1SC27H30N2O2S2c123152925(31)2324(2826(29)331821(30)22129163222)2011651019(20)1727(23)137481427h5691216H247813151718H21H3
MFCD04008210
ZINC000009463816
ZINC09463816
ZINC9463816

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Available files

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