Vitas-M small molecule compound

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

Catalog ID
STK544831
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)OC)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 C27H30N2O2S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O2S/c1-3-4-16-32-26-28-24-22-13-6-5-10-19(22)18-27(14-7-8-15-27)23(24)25(30)29(26)20-11-9-12-21(17-20)31-2/h5-6,9-13,17H,3-4,7-8,14-16,18H2,1-2H3
InChIKey
NDGVMOSUJJZNFQ-UHFFFAOYSA-N
Synonyms
488794-52-1
2(butylsulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(butylthio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2BUTYLSULFANYL3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
488794521
CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H30N2O2Sc13416322628242213651019(22)1827(14781527)23(24)25(30)29(26)201191221(1720)312h5691317H3478141618H212H3
MFCD03292700
ZINC000001818743
ZINC01818743
ZINC1818743

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Available files

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