Vitas-M small molecule compound

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

Catalog ID
STK698898
SMILES NCCCSc1nc2c3ccccc3CC3(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 C27H31N3OS MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3OS/c28-16-9-17-32-26-29-24-22-13-6-5-12-21(22)18-27(14-7-2-8-15-27)23(24)25(31)30(26)19-20-10-3-1-4-11-20/h1,3-6,10-13H,2,7-9,14-19,28H2
InChIKey
WNDUDSGSOUGKBD-UHFFFAOYSA-N
Synonyms
354991-92-7
2((3aminopropyl)sulfanyl)3benzyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3aminopropyl)thio)3benzyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3AMINOPROPYLSULFANYL)3BENZYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
354991927
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCCCN)CC5=CC=CC=C5
InChI=1SC27H31N3OSc2816917322629242213651221(22)1827(147281527)23(24)25(31)30(26)1920103141120h1361013H279141928H2
MFCD01878058
ZINC000002273711
ZINC2273711

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Available files

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