Vitas-M small molecule compound
methyl 1,3-dioxo-2'-[4-(trifluoromethyl)phenyl]-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Catalog ID
STL238694
SMILES COC(=O)C1N2c3ccccc3C=CC2C2(C1c1ccc(cc1)C(F)(F)F)C(=O)c1c(C2=O)cccc1
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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 C29H20F3NO4 MW 503.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20F3NO4/c1-37-27(36)24-23(17-10-13-18(14-11-17)29(30,31)32)28(25(34)19-7-3-4-8-20(19)26(28)35)22-15-12-16-6-2-5-9-21(16)33(22)24/h2-15,22-24H,1H3InChIKey
MADJSAKCXBPCHO-UHFFFAOYSA-NSynonyms
(1R2R)methyl13dioxo2(4(trifluoromethyl)phenyl)1233atetrahydro1Hspiro(indene23pyrrolo(12a)quinoline)1carboxylate
COC(=O)(C@@H)1N2c3ccccc3C=CC2C2((C@H)1c1ccc(cc1)C(F)(F)F)C(=O)c1c(C2=O)cccc1
COC(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)C(F)(F)F
InChI=1SC29H20F3NO4c13727(36)2423(17101318(141117)29(3031)32)28(25(34)19734820(19)26(28)35)22151216625921(16)33(22)24h2152224H1H3
methyl13dioxo2(4(trifluoromethyl)phenyl)1123tetrahydro3aHspiro(indene23pyrrolo(12a)quinoline)1carboxylate
METHYL13DIOXO2(4(TRIFLUOROMETHYL)PHENYL)SPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)1CARBOXYLATE
MFCD07204943
ZINC000002413059
ZINC000016033565
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