Vitas-M small molecule compound

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

Catalog ID
STK554977
SMILES Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

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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 C31H29ClN2OS MW 513.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN2OS/c32-26-16-8-6-14-24(26)21-36-30-33-28-25-15-7-5-13-23(25)19-31(17-9-2-10-18-31)27(28)29(35)34(30)20-22-11-3-1-4-12-22/h1,3-8,11-16H,2,9-10,17-21H2
InChIKey
LANASVMGNMFKOH-UHFFFAOYSA-N
Synonyms
840495-56-9
3benzyl2((2chlorobenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3benzyl2((2chlorobenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2((2CHLOROPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
840495569
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5Cl)CC6=CC=CC=C6
InChI=1SC31H29ClN2OSc322616861424(26)21363033282515751323(25)1931(1792101831)27(28)29(35)34(30)2022113141222h1381116H29101721H2
MFCD04008005
ZINC000013751686
ZINC13751686

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Available files

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