Vitas-M small molecule compound

3-benzyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STL311957
SMILES C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

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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 C27H28N2OS MW 428.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2OS/c1-2-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-3-6-12-20/h2-3,5-8,11-14H,1,4,9-10,15-19H2
InChIKey
WGVBVZVEBONNDD-UHFFFAOYSA-N
Synonyms
172984-45-1
172984451
2(ALLYLSULFANYL)3BENZYL56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
2(allylthio)3benzyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(PHENYLMETHYL)2(2PROPENYLTHIO)SPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)4(6H)ONE
3benzyl2(prop2en1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3BENZYL2PROP2ENYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3BENZYL2PROP2ENYLTHIOSPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C=CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC27H28N2OSc1217312628242214871321(22)1827(1594101627)23(24)25(30)29(26)1920115361220h23581114H149101519H2
MFCD00330646
SPIRO(BENZO(H)QUINAZOLINE5(3H)1CYCLOHEXAN)4(6H)ONE3(PHENYLMETHYL)2(2PROPENYLTHIO)
ZINC000002066643
ZINC02066643
ZINC2066643

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Available files

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