Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL039078
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2)CCCCC4)nc2c1C1(CCCC1)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 C40H38N4O2S MW 638.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38N4O2S/c45-36-32-34(29-17-7-5-13-26(29)23-39(32)21-11-12-22-39)41-31(42-36)25-47-38-43-35-30-18-8-6-14-27(30)24-40(19-9-2-10-20-40)33(35)37(46)44(38)28-15-3-1-4-16-28/h1,3-8,13-18H,2,9-12,19-25H2,(H,41,42,45)InChIKey
SBMIHBIIFRLQPI-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3phenyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCC8)C9=CC=CC=C9
InChI=1SC40H38N4O2Sc45363234(2917751326(29)2339(32)2111122239)4131(4236)25473843353018861427(30)2440(1992102040)33(35)37(46)44(38)28153141628h1381318H29121925H2(H414245)
MFCD03819190
ZINC000150439667
ZINC150439667
Check stock
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