Vitas-M small molecule compound

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

Catalog ID
STK547807
SMILES CCCn1c(SCCC(C)C)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 C25H34N2OS MW 410.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2OS/c1-4-15-27-23(28)21-22(26-24(27)29-16-12-18(2)3)20-11-7-6-10-19(20)17-25(21)13-8-5-9-14-25/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3
InChIKey
IVJPMHAXXFXTDL-UHFFFAOYSA-N
Synonyms
497863-79-3
2((3methylbutyl)sulfanyl)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3METHYLBUTYLSULFANYL)3PROPYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(isopentylthio)3propyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
497863793
CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C
InChI=1SC25H34N2OSc14152723(28)2122(2624(27)29161218(2)3)2011761019(20)1725(21)138591425h67101118H45891217H213H3
MFCD03300784
ZINC000004937189
ZINC04937189
ZINC4937189

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Available files

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