Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK543489
SMILES COc1cccc(c1)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/c1-36-25-10-7-9-24(18-25)34-29(35)27-28(33-30(34)37-20-21-12-14-23(32)15-13-21)26-11-4-3-8-22(26)19-31(27)16-5-2-6-17-31/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3InChIKey
WXYWKZMBQNQXNR-UHFFFAOYSA-NSynonyms
500271-55-62((4chlorobenzyl)sulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4chlorobenzyl)thio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4CHLOROPHENYL)METHYLSULFANYL)3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
500271556
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=C(C=C6)Cl
InChI=1SC31H29ClN2O2Sc13625107924(1825)3429(35)2728(3330(34)372021121423(32)151321)261143822(26)1931(27)165261731h3471518H25616171920H21H3
MFCD03302753
ZINC000001827716
ZINC01827716
ZINC1827716
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