Vitas-M small molecule compound
2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK556863
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)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/c1-21-9-7-13-25(17-21)39-30(41)28-29(26-14-4-3-10-22(26)19-32(28)15-5-2-6-16-32)38-31(39)42-20-27(40)37-24-12-8-11-23(18-24)33(34,35)36/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3,(H,37,40)InChIKey
RHEGTDYWTXHYAJ-UHFFFAOYSA-NSynonyms
2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(3(trifluoromethyl)phenyl)acetamide
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC(=C6)C(F)(F)F
InChI=1SC33H30F3N3O2Sc121971325(1721)3930(41)2829(2614431022(26)1932(28)155261632)3831(39)422027(40)37241281123(1824)33(3435)36h347141718H25615161920H21H3(H3740)
MFCD04021039
ZINC000001884467
ZINC01884467
ZINC1884467
Check stock
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Check stock on Vitas-MAvailable files
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