Vitas-M small molecule compound

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK833128
SMILES Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCCC1)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 C31H33ClN2O2S MW 533.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN2O2S/c32-23-15-13-21(14-16-23)26(35)20-37-30-33-28-25-12-6-5-9-22(25)19-31(17-7-2-8-18-31)27(28)29(36)34(30)24-10-3-1-4-11-24/h5-6,9,12-16,24H,1-4,7-8,10-11,17-20H2
InChIKey
WQZICWIGTZOVNT-UHFFFAOYSA-N
Synonyms
5705-13-5
2((2(4chlorophenyl)2oxoethyl)sulfanyl)3cyclohexyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4chlorophenyl)2oxoethyl)thio)3cyclohexyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3CYCLOHEXYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
5705135
C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl
InChI=1SC31H33ClN2O2Sc3223151321(141623)26(35)2037303328251265922(25)1931(177281831)27(28)29(36)34(30)24103141124h569121624H147810111720H2
MFCD01175067
ZINC000001823551
ZINC01823551
ZINC1823551

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Available files

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