Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK540776
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)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 C31H29ClN2O2S MW 529.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN2O2S/c1-36-25-15-13-24(14-16-25)34-29(35)27-28(33-30(34)37-20-21-9-11-23(32)12-10-21)26-8-4-3-7-22(26)19-31(27)17-5-2-6-18-31/h3-4,7-16H,2,5-6,17-20H2,1H3InChIKey
WIYBCTLMHMZOFN-UHFFFAOYSA-NSynonyms
384802-28-22((4chlorobenzyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4chlorobenzyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4CHLOROPHENYL)METHYLSULFANYL)3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
384802282
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=C(C=C6)Cl
InChI=1SC31H29ClN2O2Sc13625151324(141625)3429(35)2728(3330(34)37202191123(32)121021)26843722(26)1931(27)175261831h34716H2561720H21H3
MFCD03284523
ZINC000001792860
ZINC01792860
ZINC1792860
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