Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK558567
SMILES Cc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)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 C31H29ClN2OS MW 513.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN2OS/c1-21-13-15-24(16-14-21)34-29(35)27-28(33-30(34)36-20-23-10-4-6-12-26(23)32)25-11-5-3-9-22(25)19-31(27)17-7-2-8-18-31/h3-6,9-16H,2,7-8,17-20H2,1H3InChIKey
HVXMSAHXGLZHMX-UHFFFAOYSA-NSynonyms
587001-26-12((2chlorobenzyl)sulfanyl)3(4methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2chlorobenzyl)thio)3(ptolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2CHLOROPHENYL)METHYLSULFANYL)3(4METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
587001261
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6Cl
InChI=1SC31H29ClN2OSc121131524(161421)3429(35)2728(3330(34)36202310461226(23)32)251153922(25)1931(27)177281831h36916H2781720H21H3
MFCD04033147
ZINC000002396644
ZINC02396644
ZINC2396644
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