Vitas-M small molecule compound

(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(4-fluorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK545771
SMILES Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2

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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 C27H18ClFN2O3 MW 472.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN2O3/c28-17-7-5-16(6-8-17)25(32)24-22-21(23-20-4-2-1-3-15(20)13-14-30(23)24)26(33)31(27(22)34)19-11-9-18(29)10-12-19/h1-14,21-24H/t21-,22+,23?,24-/m0/s1
InChIKey
CCKSYWZLYQIORF-UZLDWMDBSA-N
Synonyms
956814-07-6
(8S8aR11aS)8((4chlorophenyl)carbonyl)10(4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956814076
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)F
Fc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc(cc2)Cl)C=Cc2c1cccc2
InChI=1SC27H18ClFN2O3c28177516(6817)25(32)242221(2320421315(20)131430(23)24)26(33)31(27(22)34)1911918(29)101219h1142124Ht2122+23?24m0s1
MFCD18242238
ZINC000013564596
ZINC000016037246

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Available files

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