Vitas-M small molecule compound

3-benzyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK698891
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3)C

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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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-20(2)14-17-32-27-29-25-23-13-7-6-12-22(23)18-28(15-8-9-16-28)24(25)26(31)30(27)19-21-10-4-3-5-11-21/h3-7,10-13,20H,8-9,14-19H2,1-2H3
InChIKey
GUYVTYBAFGOTLI-UHFFFAOYSA-N
Synonyms
337487-50-0
2(3METHYLBUTYLTHIO)3BENZYLSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
337487500
3benzyl2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3BENZYL2(3METHYLBUTYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3benzyl2(isopentylthio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC(C)CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2OSc120(2)1417322729252313761222(23)1828(15891628)24(25)26(31)30(27)1921104351121h37101320H891419H212H3
MFCD01877690
ZINC000002272746
ZINC02272746
ZINC2272746

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Available files

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