Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698962
SMILES C=CCn1c(SCc2ccc(cc2C)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 C29H32N2OS MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2OS/c1-4-16-31-27(32)25-26(30-28(31)33-19-23-13-12-20(2)17-21(23)3)24-11-7-6-10-22(24)18-29(25)14-8-5-9-15-29/h4,6-7,10-13,17H,1,5,8-9,14-16,18-19H2,2-3H3InChIKey
AWKPWHBALQQCJA-UHFFFAOYSA-NSynonyms
371957-44-72((24dimethylbenzyl)sulfanyl)3(prop2en1yl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3PROP2ENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
371957447
3allyl2((24dimethylbenzyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53)C
InChI=1SC29H32N2OSc14163127(32)2526(3028(31)331923131220(2)1721(23)3)2411761022(24)1829(25)148591529h467101317H158914161819H223H3
MFCD01807154
ZINC000002270210
ZINC02270210
ZINC2270210
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