Vitas-M small molecule compound

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

Catalog ID
STK566595
SMILES Oc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)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/c38-30-28-29(24-14-6-5-13-23(24)19-33(28)17-9-2-10-18-33)35-27(36-30)21-40-32-34-26-16-8-7-15-25(26)31(39)37(32)20-22-11-3-1-4-12-22/h1,3-8,11-16H,2,9-10,17-21H2,(H,35,36,38)
InChIKey
BCLOWRQAHLOALW-UHFFFAOYSA-N
Synonyms

2((3BENZYL4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3benzyl2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)methyl)sulfanyl)quinazolin4(3H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=NC6=CC=CC=C6C(=O)N5CC7=CC=CC=C7
InChI=1SC33H30N4O2Sc38302829(2414651323(24)1933(28)1792101833)3527(3630)214032342616871525(26)31(39)37(32)2022113141222h1381116H29101721H2(H353638)
MFCD03814815
ZINC000002305406
ZINC2305406

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Available files

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