Vitas-M small molecule compound

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

Catalog ID
STK541808
SMILES COc1cccc(c1)n1c(SCC(=C)C)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 C27H28N2O2S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S/c1-18(2)17-32-26-28-24-22-12-5-4-9-19(22)16-27(13-6-7-14-27)23(24)25(30)29(26)20-10-8-11-21(15-20)31-3/h4-5,8-12,15H,1,6-7,13-14,16-17H2,2-3H3
InChIKey
BWGOAKXXXQUWAN-UHFFFAOYSA-N
Synonyms
489403-52-3
3(3methoxyphenyl)2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3methoxyphenyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHOXYPHENYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
489403523
CC(=C)CSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H28N2O2Sc118(2)1732262824221254919(22)1627(13671427)23(24)25(30)29(26)201081121(1520)313h4581215H16713141617H223H3
MFCD03296059
ZINC000001784006
ZINC01784006
ZINC1784006

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Available files

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