Vitas-M small molecule compound
ethyl {[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Catalog ID
STK831346
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-3-33-23(31)18-34-27-29-25-22-13-6-5-11-20(22)17-28(14-7-4-8-15-28)24(25)26(32)30(27)21-12-9-10-19(2)16-21/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3InChIKey
NWPYECASEVELTE-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCCC4)CC5=CC=CC=C52
ethyl((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(3(3METHYLPHENYL)4OXOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YLTHIO)ACETATE
ETHYL2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC28H30N2O3Sc133323(31)18342729252213651120(22)1728(147481528)24(25)26(32)30(27)211291019(2)1621h5691316H347814151718H212H3
MFCD01993028
ZINC000002295489
ZINC02295489
ZINC2295489
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