Vitas-M small molecule compound

2-{[(4-hydroxy-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)methyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK559515
SMILES Oc1nc(CSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccccc2)CCCCC4)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 C41H40N4O2S MW 652.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H40N4O2S/c46-37-33-35(30-18-8-6-14-27(30)24-40(33)20-10-2-11-21-40)42-32(43-37)26-48-39-44-36-31-19-9-7-15-28(31)25-41(22-12-3-13-23-41)34(36)38(47)45(39)29-16-4-1-5-17-29/h1,4-9,14-19H,2-3,10-13,20-26H2,(H,42,43,46)
InChIKey
GBXDTGYVBJZWSM-UHFFFAOYSA-N
Synonyms

2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)3phenyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)METHYLSULFANYL)3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=NC6=C(C(=O)N5C7=CC=CC=C7)C8(CCCCC8)CC9=CC=CC=C96
InChI=1SC41H40N4O2Sc46373335(3018861427(30)2440(33)20102112140)4232(4337)26483944363119971528(31)2541(22123132341)34(36)38(47)45(39)29164151729h1491419H2310132026H2(H424346)
MFCD03799465
ZINC000150449361
ZINC150449361

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Available files

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