Vitas-M small molecule compound
ethyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Catalog ID
STK805887
SMILES CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)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 C25H30N2O3S MW 438.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S/c1-4-30-20(28)16-31-24-26-22-19-11-7-6-10-18(19)14-25(12-8-5-9-13-25)21(22)23(29)27(24)15-17(2)3/h6-7,10-11H,2,4-5,8-9,12-16H2,1,3H3InChIKey
HWJFPQUGZPRVHI-UHFFFAOYSA-NSynonyms
354547-04-9354547049
CCOC(=O)CSC1=NC2=C(C(=O)N1CC(=C)C)C3(CCCCC3)CC4=CC=CC=C42
ethyl((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetate
ethyl2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetate
ETHYL2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETATE
InChI=1SC25H30N2O3Sc143020(28)16312426221911761018(19)1425(128591325)21(22)23(29)27(24)1517(2)3h671011H245891216H213H3
MFCD01558513
ZINC000002095988
ZINC02095988
ZINC2095988
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