Vitas-M small molecule compound

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

Catalog ID
STK550658
SMILES COc1cccc(c1)n1c(SCc2cccc(c2)C)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 C32H32N2O2S MW 508.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O2S/c1-22-10-8-11-23(18-22)21-37-31-33-29-27-15-5-4-12-24(27)20-32(16-6-3-7-17-32)28(29)30(35)34(31)25-13-9-14-26(19-25)36-2/h4-5,8-15,18-19H,3,6-7,16-17,20-21H2,1-2H3
InChIKey
ZEOSNFQCZNNBSV-UHFFFAOYSA-N
Synonyms
799802-46-3
3(3methoxyphenyl)2((3methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methoxyphenyl)2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHOXYPHENYL)2((3METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
799802463
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC32H32N2O2Sc1221081123(1822)21373133292715541224(27)2032(166371732)28(29)30(35)34(31)251391426(1925)362h458151819H36716172021H212H3
MFCD03678886
ZINC000002224821
ZINC02224821
ZINC2224821

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Available files

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