Vitas-M small molecule compound
2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-(2-methylphenyl)quinazolin-4(3H)-one
Catalog ID
STL039332
SMILES Oc1nc(CSc2nc3ccccc3c(=O)n2c2ccccc2C)nc2c1C1(CCCCC1)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 C33H30N4O2S MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O2S/c1-21-11-3-8-16-26(21)37-31(39)24-14-6-7-15-25(24)34-32(37)40-20-27-35-29-23-13-5-4-12-22(23)19-33(17-9-2-10-18-33)28(29)30(38)36-27/h3-8,11-16H,2,9-10,17-20H2,1H3,(H,35,36,38)InChIKey
OKOAJQMZQADTAD-UHFFFAOYSA-NSynonyms
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3(2methylphenyl)quinazolin4(3H)one
2((3(2METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C6=CC=CC=C6CC57CCCCC7
InChI=1SC33H30N4O2Sc12111381626(21)3731(39)2414671525(24)3432(37)40202735292313541222(23)1933(1792101833)28(29)30(38)3627h381116H29101720H21H3(H353638)
MFCD03808126
ZINC000001816990
ZINC01816990
ZINC1816990
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