Vitas-M small molecule compound
ethyl [(4-oxo-3-phenyl-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate
Catalog ID
STK554644
SMILES CCOC(=O)CSC1NC2=C(C(=O)N1c1ccccc1)C1(Cc3c2cccc3)CCCCC1
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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 C27H30N2O3S MW 462.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3S/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/h3,5-8,11-14,26,28H,2,4,9-10,15-18H2,1H3InChIKey
SQKHDNAUDCHWND-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
ethyl((4oxo3phenyl2346tetrahydro1Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ETHYL2(4OXO3PHENYLSPIRO(26DIHYDRO1HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC27H30N2O3Sc123222(30)18332628242114871119(21)1727(1594101627)23(24)25(31)29(26)20125361320h35811142628H249101518H21H3
MFCD04006062
ZINC000008743712
ZINC000008743713
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