Vitas-M small molecule compound

3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK027518
SMILES O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

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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 C31H34N2O3S MW 514.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O3S/c1-30(2)19-23(14-17-36-30)33-28(35)26-27(32-29(33)37-20-25(34)21-10-4-3-5-11-21)24-13-7-6-12-22(24)18-31(26)15-8-9-16-31/h3-7,10-13,23H,8-9,14-20H2,1-2H3
InChIKey
VEFXAVCEFVCJES-UHFFFAOYSA-N
Synonyms
337495-94-0
3(22DIMETHYLOXAN4YL)2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(22DIMETHYLTETRAHYDRO2HPYRAN4YL)2((2OXO2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3(22dimethyltetrahydro2Hpyran4yl)2((2oxo2phenylethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
337495940
CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6)C
InChI=1SC31H34N2O3Sc130(2)1923(14173630)3328(35)2627(3229(33)372025(34)21104351121)2413761222(24)1831(26)15891631h37101323H891420H212H3
MFCD01558976
O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3
STK027518
ZINC000002254638
ZINC000002254639

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Available files

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