Vitas-M small molecule compound

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

Catalog ID
STK546582
SMILES CCCn1c(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 C27H29ClN2OS MW 465.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2OS/c1-2-16-30-25(31)23-24(29-26(30)32-18-19-10-12-21(28)13-11-19)22-9-5-4-8-20(22)17-27(23)14-6-3-7-15-27/h4-5,8-13H,2-3,6-7,14-18H2,1H3
InChIKey
WDDJRJGFIXTDEW-UHFFFAOYSA-N
Synonyms
499116-75-5
2((4chlorobenzyl)sulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4chlorobenzyl)thio)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4CHLOROPHENYL)METHYLSULFANYL)3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
499116755
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)Cl
InChI=1SC27H29ClN2OSc12163025(31)2324(2926(30)321819101221(28)131119)22954820(22)1727(23)146371527h45813H23671418H21H3
MFCD03302431
ZINC000002351643
ZINC02351643
ZINC2351643

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Available files

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