Vitas-M small molecule compound

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

Catalog ID
STK555435
SMILES Cc1cccc(c1)n1c(SCc2ccccc2Cl)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 C31H29ClN2OS MW 513.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN2OS/c1-21-10-9-13-24(18-21)34-29(35)27-28(33-30(34)36-20-23-12-4-6-15-26(23)32)25-14-5-3-11-22(25)19-31(27)16-7-2-8-17-31/h3-6,9-15,18H,2,7-8,16-17,19-20H2,1H3
InChIKey
BRHPMGHHJGDWEI-UHFFFAOYSA-N
Synonyms
841206-48-2
2((2chlorobenzyl)sulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2chlorobenzyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2CHLOROPHENYL)METHYLSULFANYL)3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
841206482
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6Cl
InChI=1SC31H29ClN2OSc1211091324(1821)3429(35)2728(3330(34)36202312461526(23)32)2514531122(25)1931(27)167281731h3691518H27816171920H21H3
MFCD04011150
ZINC000002373746
ZINC02373746
ZINC2373746

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Available files

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