Vitas-M small molecule compound

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

Catalog ID
STK698952
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)C)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 C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-3-4-10-19-34-29-31-27-25-12-7-6-11-24(25)20-30(17-8-5-9-18-30)26(27)28(33)32(29)21-23-15-13-22(2)14-16-23/h6-7,11-16H,3-5,8-10,17-21H2,1-2H3
InChIKey
FXXDANAXNDPODY-UHFFFAOYSA-N
Synonyms

3((4METHYLPHENYL)METHYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4methylbenzyl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methylbenzyl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CCCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H36N2OSc1341019342931272512761124(25)2030(178591830)26(27)28(33)32(29)2123151322(2)141623h671116H358101721H212H3
MFCD01807179
ZINC000001829323
ZINC01829323
ZINC1829323

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Available files

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