Vitas-M small molecule compound
9-methyl-2-[(4-methylbenzyl)sulfanyl]-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-ol
Catalog ID
STL046687
SMILES Cc1ccc2c(c1)c1nc(SCc3ccc(cc3)C)nc(c1C1(C2)CCCCC1)O
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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 C26H28N2OS MW 416.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2OS/c1-17-6-9-19(10-7-17)16-30-25-27-23-21-14-18(2)8-11-20(21)15-26(12-4-3-5-13-26)22(23)24(29)28-25/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,27,28,29)InChIKey
JNPQYLNMAWKKKL-UHFFFAOYSA-NSynonyms
496772-36-2496772362
9methyl2((4methylbenzyl)sulfanyl)6Hspiro(benzo(h)quinazoline51cyclohexan)4ol
9METHYL2((4METHYLPHENYL)METHYLSULFANYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)C4=C(CC35CCCCC5)C=CC(=C4)C
InChI=1SC26H28N2OSc1176919(10717)1630252723211418(2)81120(21)1526(124351326)22(23)24(29)2825h61114H3512131516H212H3(H272829)
MFCD03800625
ZINC000008837719
ZINC8837719
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