Vitas-M small molecule compound
ethyl {[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Catalog ID
STK835332
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)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)18-34-27-29-25-21-13-7-6-12-20(21)17-28(15-9-4-10-16-28)24(25)26(32)30(27)22-14-8-5-11-19(22)2/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3InChIKey
RIIYYCGEUSPPFZ-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52
ethyl((3(2methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((4oxo3(otolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC28H30N2O3Sc133323(31)18342729252113761220(21)1728(1594101628)24(25)26(32)30(27)2214851119(22)2h581114H349101518H212H3
MFCD01993012
ZINC000002295470
ZINC02295470
ZINC2295470
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