Vitas-M small molecule compound

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

Catalog ID
STK805050
SMILES C=CCn1c(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 C25H32N2OS MW 408.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS/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/h4,6-7,10-11,18H,1,5,8-9,12-17H2,2-3H3
InChIKey
AOSLKGLOPVJBTG-UHFFFAOYSA-N
Synonyms

2((3methylbutyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3METHYLBUTYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3ALLYL2(ISOPENTYLSULFANYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXANE)4(3H)ONE
3allyl2(isopentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC(C)CCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42
InChI=1SC25H32N2OSc14152723(28)2122(2624(27)29161218(2)3)2011761019(20)1725(21)138591425h467101118H15891217H223H3
MFCD01807148
ZINC000001796086
ZINC01796086
ZINC1796086

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Available files

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