Vitas-M small molecule compound
2-[(2,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK539330
SMILES COc1ccc(cc1)n1c(SCc2ccc(cc2Cl)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 C31H28Cl2N2O2S MW 563.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28Cl2N2O2S/c1-37-24-13-11-23(12-14-24)35-29(36)27-28(34-30(35)38-19-21-9-10-22(32)17-26(21)33)25-8-4-3-7-20(25)18-31(27)15-5-2-6-16-31/h3-4,7-14,17H,2,5-6,15-16,18-19H2,1H3InChIKey
IBNWKTOQHDVVAF-UHFFFAOYSA-NSynonyms
2((24dichlorobenzyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dichlorobenzyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=C(C=C(C=C6)Cl)Cl
InChI=1SC31H28Cl2N2O2Sc13724131123(121424)3529(36)2728(3430(35)38192191022(32)1726(21)33)25843720(25)1831(27)155261631h3471417H25615161819H21H3
MFCD03007263
ZINC000001857054
ZINC01857054
ZINC1857054
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