Vitas-M small molecule compound

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

Catalog ID
STK551108
SMILES C=CCn1c(SCc2cccc(c2)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 C28H30N2OS MW 442.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2OS/c1-3-16-30-26(31)24-25(29-27(30)32-19-21-11-9-10-20(2)17-21)23-13-6-5-12-22(23)18-28(24)14-7-4-8-15-28/h3,5-6,9-13,17H,1,4,7-8,14-16,18-19H2,2H3
InChIKey
BOCFYODNFBMCMG-UHFFFAOYSA-N
Synonyms
799800-26-3
2((3methylbenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((3METHYLPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3allyl2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
799800263
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC28H30N2OSc13163026(31)2425(2927(30)3219211191020(2)1721)2313651222(23)1828(24)147481528h35691317H147814161819H22H3
MFCD03678194
ZINC000002222936
ZINC02222936
ZINC2222936

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Available files

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