Vitas-M small molecule compound
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL049558
SMILES O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)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 C30H30F3N3O2S MW 553.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30F3N3O2S/c1-19(2)17-36-27(38)25-26(21-11-5-4-10-20(21)16-29(25)14-8-3-9-15-29)35-28(36)39-18-24(37)34-23-13-7-6-12-22(23)30(31,32)33/h4-7,10-13H,1,3,8-9,14-18H2,2H3,(H,34,37)InChIKey
WDCVUFUBPGUXRV-UHFFFAOYSA-NSynonyms
2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(2(trifluoromethyl)phenyl)acetamide
2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(2(trifluoromethyl)phenyl)acetamide
2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC=C5C(F)(F)F
InChI=1SC30H30F3N3O2Sc119(2)173627(38)2526(2111541020(21)1629(25)148391529)3528(36)391824(37)342313761222(23)30(3132)33h471013H13891418H22H3(H3437)
MFCD04178039
ZINC000001900895
ZINC01900895
ZINC1900895
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