Vitas-M small molecule compound

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

Catalog ID
STK540989
SMILES C=CCn1c(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 C27H26Cl2N2OS MW 497.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2OS/c1-2-14-31-25(32)23-24(30-26(31)33-17-19-10-11-20(28)15-22(19)29)21-9-5-4-8-18(21)16-27(23)12-6-3-7-13-27/h2,4-5,8-11,15H,1,3,6-7,12-14,16-17H2
InChIKey
MNDABEYQPCKQFF-UHFFFAOYSA-N
Synonyms
384353-83-7
2((24dichlorobenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DICHLOROPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
384353837
3allyl2((24dichlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC27H26Cl2N2OSc12143125(32)2324(3026(31)331719101120(28)1522(19)29)21954818(21)1627(23)126371327h24581115H136712141617H2
MFCD03285385
ZINC000001763598
ZINC01763598
ZINC1763598

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Available files

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