Vitas-M small molecule compound

diphenylmethyl (6aR,6bS,9aR,10S)-8-(4-fluorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate

Catalog ID
STK542013
SMILES Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)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 C34H25FN2O4 MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25FN2O4/c35-24-16-18-25(19-17-24)36-32(38)28-27-20-15-21-9-7-8-14-26(21)37(27)30(29(28)33(36)39)34(40)41-31(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-20,27-31H/t27-,28-,29-,30+/m1/s1
InChIKey
ZWEFHBMDEHGSJH-CSBHBGLHSA-N
Synonyms
956929-58-1
(6aR6bS9aR10S)benzhydryl8(4fluorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
956929581
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C4C(C5N3C6=CC=CC=C6C=C5)C(=O)N(C4=O)C7=CC=C(C=C7)F
diphenylmethyl(6aR6bS9aR10S)8(4fluorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
Fc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)c1ccccc1
InChI=1SC34H25FN2O4c3524161825(191724)3632(38)28272015219781426(21)37(27)30(29(28)33(36)39)34(40)4131(22103141122)23125261323h1202731Ht27282930+m1s1
MFCD18241956
ZINC000100830996
ZINC100830996

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.