Vitas-M small molecule compound

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

Catalog ID
STK831294
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-2-32-22(30)18-33-26-28-24-21-14-8-7-11-19(21)17-27(15-9-4-10-16-27)23(24)25(31)29(26)20-12-5-3-6-13-20/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3
InChIKey
CXVCHVASPISQIR-UHFFFAOYSA-N
Synonyms
172984-43-9
172984439
ACETICACID((46DIHYDRO4OXO3PHENYLSPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)2YL)THIO)ETHYLESTER
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
ethyl((4oxo3phenyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((4oxo3phenyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(4OXO3PHENYL46DIHYDRO3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLSULFANYL)ACETATE
ETHYL2(4OXO3PHENYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ACETATE
ETHYL2(4OXO3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC27H28N2O3Sc123222(30)18332628242114871119(21)1727(1594101627)23(24)25(31)29(26)20125361320h3581114H249101518H21H3
MFCD00320410
ZINC000002066642
ZINC02066642
ZINC2066642

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Available files

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