Vitas-M small molecule compound

diphenylmethyl (6aR,6bS,9aR,10S)-8-(3-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
STK541705
SMILES Fc1cccc(c1)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/c35-24-15-9-16-25(20-24)36-32(38)28-27-19-18-21-10-7-8-17-26(21)37(27)30(29(28)33(36)39)34(40)41-31(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-20,27-31H/t27-,28-,29-,30+/m1/s1
InChIKey
HHYXDGSXQHLUIZ-CSBHBGLHSA-N
Synonyms
956238-45-2
(6aR6bS9aR10S)benzhydryl8(3fluorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
956238452
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(=CC=C7)F
diphenylmethyl(6aR6bS9aR10S)8(3fluorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
Fc1cccc(c1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)OC(c1ccccc1)c1ccccc1
InChI=1SC34H25FN2O4c35241591625(2024)3632(38)282719182110781726(21)37(27)30(29(28)33(36)39)34(40)4131(22113141222)23135261423h1202731Ht27282930+m1s1
MFCD18241923
ZINC000008691731
ZINC8691731

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Available files

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