Vitas-M small molecule compound

3-(4-methoxyphenyl)-9-methyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK847198
SMILES COc1ccc(cc1)n1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1c2cc(C)cc1

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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 C25H26N2O2S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O2S/c1-16-6-7-17-15-25(12-4-3-5-13-25)21-22(20(17)14-16)26-24(30)27(23(21)28)18-8-10-19(29-2)11-9-18/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,30)
InChIKey
XXIHGHQOEIPNKS-UHFFFAOYSA-N
Synonyms
489421-99-0
3(4METHOXYPHENYL)9METHYL2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4methoxyphenyl)9methyl2thioxo23dihydro1Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
489421990
CC1=CC2=C(CC3(CCCCC3)C4=C2NC(=S)N(C4=O)C5=CC=C(C=C5)OC)C=C1
COc1ccc(cc1)n1c(=S)(nH)c2c(c1=O)C1(CCCCC1)Cc1c2cc(C)cc1
InChI=1SC25H26N2O2Sc11667171525(124351325)2122(20(17)1416)2624(30)27(23(21)28)1881019(292)11918h61114H35121315H212H3(H2630)
MFCD03802462
ZINC000002266052
ZINC02266052
ZINC2266052

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Available files

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