Vitas-M small molecule compound
3-cyclohexyl-2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STL150199
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 C40H44N4O2S MW 644.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H44N4O2S/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/h5-8,13-14,17-18,28H,1-4,9-12,15-16,19-25H2,(H,41,42,45)InChIKey
IZNSMLWNJDCPMN-UHFFFAOYSA-NSynonyms
3cyclohexyl2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3CYCLOHEXYL2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)METHYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCC9
InChI=1SC40H44N4O2Sc45363234(2917751326(29)2339(32)2111122239)4131(4236)25473843353018861427(30)2440(1992102040)33(35)37(46)44(38)28153141628h581314171828H1491215161925H2(H414245)
MFCD03793821
ZINC000150392015
ZINC150392015
Check stock
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