Vitas-M small molecule compound

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

Catalog ID
STK805507
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC1CCCCC1)CCCCC3

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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 C28H36N2O3S MW 480.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O3S/c1-2-33-23(31)19-34-27-29-25-22-14-8-7-13-21(22)17-28(15-9-4-10-16-28)24(25)26(32)30(27)18-20-11-5-3-6-12-20/h7-8,13-14,20H,2-6,9-12,15-19H2,1H3
InChIKey
RNMOBSSFYFKROT-UHFFFAOYSA-N
Synonyms
312585-29-8
312585298
CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52
ethyl((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((3(cyclohexylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(3(CYCLOHEXYLMETHYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ACETATE
ETHYL2(3(CYCLOHEXYLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC28H36N2O3Sc123323(31)19342729252214871321(22)1728(1594101628)24(25)26(32)30(27)1820115361220h78131420H269121519H21H3
MFCD00688859
ZINC000002318449
ZINC02318449
ZINC2318449

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Available files

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