Vitas-M small molecule compound

(3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-8-(phenylcarbonyl)-2-[2-(trifluoromethyl)phenyl]-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione

Catalog ID
STK547753
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1

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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 C31H20ClF3N2O4 MW 576.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20ClF3N2O4/c32-20-12-10-18(11-13-20)28(39)26-25-24(23-16-19(14-15-36(23)26)27(38)17-6-2-1-3-7-17)29(40)37(30(25)41)22-9-5-4-8-21(22)31(33,34)35/h1-16,23-26H/t23-,24-,25-,26+/m1/s1
InChIKey
DJLAWDXPGNLXQI-POTDNYQPSA-N
Synonyms

(3aR4S9aR9bS)4((4chlorophenyl)carbonyl)8(phenylcarbonyl)2(2(trifluoromethyl)phenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(4chlorobenzoyl)2(2(trifluoromethyl)phenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(4chlorobenzoyl)2(2(trifluoromethyl)phenyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
C1=CC=C(C=C1)C(=O)C2=CC3C4C(C(N3C=C2)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6C(F)(F)F
Clc1ccc(cc1)C(=O)(C@H)1N2C=CC(=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1
InChI=1SC31H20ClF3N2O4c3220121018(111320)28(39)262524(231619(141536(23)26)27(38)176213717)29(40)37(30(25)41)22954821(22)31(3334)35h1162326Ht23242526+m1s1
MFCD18242368
ZINC000102448750
ZINC102448750

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Available files

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