Vitas-M small molecule compound
2-{[3-(2-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL441048
SMILES O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCCC3
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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 C33H30F3N3O2S MW 589.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30F3N3O2S/c1-21-11-3-8-16-26(21)39-30(41)28-29(23-13-5-4-12-22(23)19-32(28)17-9-2-10-18-32)38-31(39)42-20-27(40)37-25-15-7-6-14-24(25)33(34,35)36/h3-8,11-16H,2,9-10,17-20H2,1H3,(H,37,40)InChIKey
LRLMEKRPPIUZCW-UHFFFAOYSA-NSynonyms
2((3(2methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2(3(2METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC=C6C(F)(F)F
InChI=1SC33H30F3N3O2Sc12111381626(21)3930(41)2829(2313541222(23)1932(28)1792101832)3831(39)422027(40)372515761424(25)33(3435)36h381116H29101720H21H3(H3740)
MFCD06243773
ZINC000003771714
ZINC3771714
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