Vitas-M small molecule compound

2-[(2,4-dichlorobenzyl)sulfanyl]-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK539844
SMILES COc1ccccc1n1c(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/c1-37-26-12-6-5-11-25(26)35-29(36)27-28(34-30(35)38-19-21-13-14-22(32)17-24(21)33)23-10-4-3-9-20(23)18-31(27)15-7-2-8-16-31/h3-6,9-14,17H,2,7-8,15-16,18-19H2,1H3
InChIKey
MQRIDAXQEJFZIT-UHFFFAOYSA-N
Synonyms

2((24dichlorobenzyl)sulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dichlorobenzyl)thio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=C(C=C(C=C6)Cl)Cl
InChI=1SC31H28Cl2N2O2Sc1372612651125(26)3529(36)2728(3430(35)381921131422(32)1724(21)33)231043920(23)1831(27)157281631h3691417H27815161819H21H3
MFCD03010116
ZINC000002592300
ZINC2592300

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Available files

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