Vitas-M small molecule compound

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

Catalog ID
STK943731
SMILES COc1cccc(c1)n1c(SCc2ccc(cc2)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/c1-22-13-15-23(16-14-22)21-37-31-33-29-27-12-5-4-9-24(27)20-32(17-6-3-7-18-32)28(29)30(35)34(31)25-10-8-11-26(19-25)36-2/h4-5,8-16,19H,3,6-7,17-18,20-21H2,1-2H3
InChIKey
KTTNGHJWYPICHH-UHFFFAOYSA-N
Synonyms
489443-46-1
3(3methoxyphenyl)2((4methylbenzyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methoxyphenyl)2((4methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHOXYPHENYL)2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
489443461
CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC32H32N2O2Sc122131523(161422)2137313329271254924(27)2032(176371832)28(29)30(35)34(31)251081126(1925)362h4581619H36717182021H212H3
MFCD03297357
ZINC000001867908
ZINC01867908
ZINC1867908

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Available files

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