Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698832
SMILES Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)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 C33H31BrN2O2S MW 599.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31BrN2O2S/c34-26-15-13-24(14-16-26)28(37)22-39-32-35-30-27-12-6-5-11-25(27)21-33(18-7-2-8-19-33)29(30)31(38)36(32)20-17-23-9-3-1-4-10-23/h1,3-6,9-16H,2,7-8,17-22H2InChIKey
HKZGDKAVAPLWGN-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)C5=CC=C(C=C5)Br)CCC6=CC=CC=C6
InChI=1SC33H31BrN2O2Sc3426151324(141626)28(37)22393235302712651125(27)2133(187281933)29(30)31(38)36(32)20172393141023h136916H2781722H2
MFCD01877419
ZINC000002593870
ZINC2593870
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