Vitas-M small molecule compound

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

Catalog ID
STK547870
SMILES Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=CC(=C1)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 C30H20ClFN2O4 MW 526.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H20ClFN2O4/c31-20-11-9-18(10-12-20)28(36)26-25-24(29(37)34(30(25)38)22-8-4-7-21(32)16-22)23-15-19(13-14-33(23)26)27(35)17-5-2-1-3-6-17/h1-16,23-26H/t23-,24-,25-,26+/m1/s1
InChIKey
FFHLVLZSJBXLPG-POTDNYQPSA-N
Synonyms
956627-77-3
(3aR4S9aR9bS)4((4chlorophenyl)carbonyl)2(3fluorophenyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(4chlorobenzoyl)2(3fluorophenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3AR4S9AR9BS)8BENZOYL4(4CHLOROBENZOYL)2(3FLUOROPHENYL)3A49A9BTETRAHYDROPYRROLO(34A)INDOLIZINE13DIONE
956627773
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=C6)F
Fc1cccc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(cc2)Cl)C=CC(=C1)C(=O)c1ccccc1
InChI=1SC30H20ClFN2O4c312011918(101220)28(36)262524(29(37)34(30(25)38)2284721(32)1622)231519(131433(23)26)27(35)175213617h1162326Ht23242526+m1s1
MFCD18242377
ZINC000100832378
ZINC100832378

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Available files

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