Vitas-M small molecule compound
3-benzyl-5-cyclohexyl-5-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Catalog ID
STK835420
SMILES C=CCSc1nc2c3ccccc3CC(c2c(=O)n1Cc1ccccc1)(C)C1CCCCC1
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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 C29H32N2OS MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2OS/c1-3-18-33-28-30-26-24-17-11-10-14-22(24)19-29(2,23-15-8-5-9-16-23)25(26)27(32)31(28)20-21-12-6-4-7-13-21/h3-4,6-7,10-14,17,23H,1,5,8-9,15-16,18-20H2,2H3InChIKey
DHKHUOLIHHJKOX-UHFFFAOYSA-NSynonyms
2(allylthio)3benzyl5cyclohexyl5methyl56dihydrobenzo(h)quinazolin4(3H)one
3benzyl5cyclohexyl5methyl2(prop2en1ylsulfanyl)56dihydrobenzo(h)quinazolin4(3H)one
3BENZYL5CYCLOHEXYL5METHYL2PROP2ENYLSULFANYL6HBENZO(H)QUINAZOLIN4ONE
CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C5CCCCC5
InChI=1SC29H32N2OSc131833283026241711101422(24)1929(223158591623)25(26)27(32)31(28)2021126471321h346710141723H158915161820H22H3
MFCD02239195
ZINC000001788534
ZINC000001788536
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