Vitas-M small molecule compound

ethyl {[3-(cyclohexylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetate

Catalog ID
STK833035
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)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 C27H34N2O3S MW 466.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O3S/c1-2-32-22(30)18-33-26-28-24-21-13-7-6-12-20(21)16-27(14-8-9-15-27)23(24)25(31)29(26)17-19-10-4-3-5-11-19/h6-7,12-13,19H,2-5,8-11,14-18H2,1H3
InChIKey
OZRHIXYLRWYNQZ-UHFFFAOYSA-N
Synonyms
5705-19-1
5705191
CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCCC3)C4(CCCC4)CC5=CC=CC=C52
ethyl((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetate
ethyl2((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)acetate
ETHYL2(3(CYCLOHEXYLMETHYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YLTHIO)ACETATE
ETHYL2(3(CYCLOHEXYLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETATE
InChI=1SC27H34N2O3Sc123222(30)18332628242113761220(21)1627(14891527)23(24)25(31)29(26)1719104351119h67121319H258111418H21H3
MFCD01175086
ZINC000002361882
ZINC02361882
ZINC2361882

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Available files

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