Vitas-M small molecule compound

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

Catalog ID
STK566005
SMILES COc1ccccc1n1c(SCc2nc(O)c3c(n2)c2ccccc2CC23CCCC2)nc2c(c1=O)cccc2

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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 C32H28N4O3S MW 548.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O3S/c1-39-25-15-7-6-14-24(25)36-30(38)22-12-4-5-13-23(22)33-31(36)40-19-26-34-28-21-11-3-2-10-20(21)18-32(16-8-9-17-32)27(28)29(37)35-26/h2-7,10-15H,8-9,16-19H2,1H3,(H,34,35,37)
InChIKey
RJRFBFVADYFDLZ-UHFFFAOYSA-N
Synonyms
384372-81-0
2(((4hydroxy6Hspiro(benzo(h)quinazoline51cyclopentan)2yl)methyl)sulfanyl)3(2methoxyphenyl)quinazolin4(3H)one
2((3(2METHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLMETHYL)SPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
384372810
COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C6=CC=CC=C6CC57CCCC7
InChI=1SC32H28N4O3Sc1392515761424(25)3630(38)2212451323(22)3331(36)40192634282111321020(21)1832(16891732)27(28)29(37)3526h271015H891619H21H3(H343537)
MFCD03816497
ZINC000001829259
ZINC01829259
ZINC1829259

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Available files

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