Vitas-M small molecule compound
2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL448156
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)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 C31H28F3N3O3S MW 579.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F3N3O3S/c32-31(33,34)21-9-6-10-22(16-21)35-25(38)19-41-29-36-27-24-12-3-2-8-20(24)17-30(13-4-1-5-14-30)26(27)28(39)37(29)18-23-11-7-15-40-23/h2-3,6-12,15-16H,1,4-5,13-14,17-19H2,(H,35,38)InChIKey
LJGXZZPUMIQQMZ-UHFFFAOYSA-NSynonyms
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F)CC6=CC=CO6
InChI=1SC31H28F3N3O3Sc3231(3334)21961022(1621)3525(38)1941293627241232820(24)1730(134151430)26(27)28(39)37(29)1823117154023h236121516H14513141719H2(H3538)
MFCD06239352
ZINC000003771289
ZINC3771289
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