Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK096168
SMILES 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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-4-30-26(31)24-25(29-27(30)32-18-22-13-12-19(2)16-20(22)3)23-11-7-6-10-21(23)17-28(24)14-8-5-9-15-28/h6-7,10-13,16H,4-5,8-9,14-15,17-18H2,1-3H3InChIKey
XIAKOVFEHIZPFD-UHFFFAOYSA-NSynonyms
2((24DIMETHYLBENZYL)SULFANYL)3ETHYL3HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)4(6H)ONE
2((24dimethylbenzyl)thio)3ethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3ETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=C(C=C(C=C5)C)C
CCn1c(SCc2ccc(cc2C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
InChI=1SC28H32N2OSc143026(31)2425(2927(30)321822131219(2)1620(22)3)2311761021(23)1728(24)148591528h67101316H458914151718H213H3
MFCD01558877
STK096168
ZINC000002307892
ZINC02307892
ZINC2307892
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