Vitas-M small molecule compound
2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Catalog ID
STK551573
SMILES CCn1c(SCC(=O)Nc2cccc(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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-3-31-26(33)24-25(22-13-6-5-11-20(22)17-28(24)14-7-4-8-15-28)30-27(31)34-18-23(32)29-21-12-9-10-19(2)16-21/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3,(H,29,32)InChIKey
GHRJGADKXZCCMY-UHFFFAOYSA-NSynonyms
836626-24-52((3ethyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(3methylphenyl)acetamide
2((3ethyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(mtolyl)acetamide
2(3ETHYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(3METHYLPHENYL)ACETAMIDE
836626245
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC(=C5)C
InChI=1SC28H31N3O2Sc133126(33)2425(2213651120(22)1728(24)147481528)3027(31)341823(32)29211291019(2)1621h5691316H347814151718H212H3(H2932)
MFCD03688244
ZINC000009461525
ZINC09461525
ZINC9461525
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