Vitas-M small molecule compound

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

Catalog ID
STK550160
SMILES C=CCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)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 C27H28N2OS MW 428.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2OS/c1-3-15-29-25(30)23-24(28-26(29)31-18-20-10-8-9-19(2)16-20)22-12-5-4-11-21(22)17-27(23)13-6-7-14-27/h3-5,8-12,16H,1,6-7,13-15,17-18H2,2H3
InChIKey
FYDGJEFSRSYYPS-UHFFFAOYSA-N
Synonyms
799781-55-8
2((3methylbenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((3METHYLPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3allyl2((3methylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
799781558
CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53
InChI=1SC27H28N2OSc13152925(30)2324(2826(29)311820108919(2)1620)2212541121(22)1727(23)13671427h3581216H16713151718H22H3
MFCD03674289
ZINC000002212389
ZINC02212389
ZINC2212389

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Available files

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