Vitas-M small molecule compound

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

Catalog ID
STK056345
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

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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 C31H28N2O3S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O3S/c1-36-24-15-13-23(14-16-24)33-29(35)27-28(32-30(33)37-20-26(34)21-9-3-2-4-10-21)25-12-6-5-11-22(25)19-31(27)17-7-8-18-31/h2-6,9-16H,7-8,17-20H2,1H3
InChIKey
SXWMIDQISULCOG-UHFFFAOYSA-N
Synonyms
337495-83-7
3(4METHOXYPHENYL)2((2OXO2PHENYLETHYL)SULFANYL)3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
3(4methoxyphenyl)2((2oxo2phenylethyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(4METHOXYPHENYL)2PHENACYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337495837
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CC=C6
COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
InChI=1SC31H28N2O3Sc13624151323(141624)3329(35)2728(3230(33)372026(34)2193241021)2512651122(25)1931(27)17781831h26916H781720H21H3
MFCD01559238
STK056345
ZINC000002254734
ZINC02254734
ZINC2254734

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Available files

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