Vitas-M small molecule compound

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

Catalog ID
STK805051
SMILES C=CCn1c(SCCCCC)nc2c(c1=O)C1(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 C25H32N2OS MW 408.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS/c1-3-5-11-17-29-24-26-22-20-13-8-7-12-19(20)18-25(14-9-6-10-15-25)21(22)23(28)27(24)16-4-2/h4,7-8,12-13H,2-3,5-6,9-11,14-18H2,1H3
InChIKey
NURDZNMRHYNZCW-UHFFFAOYSA-N
Synonyms

2(pentylsulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2PENTYLSULFANYL3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3allyl2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CCCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC25H32N2OSc1351117292426222013871219(20)1825(1496101525)21(22)23(28)27(24)1642h4781213H23569111418H21H3
MFCD01807149
ZINC000001828007
ZINC01828007
ZINC1828007

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Available files

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