Vitas-M small molecule compound

(8R,8aS,11aR,11bR)-8-[(4-bromophenyl)carbonyl]-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK538985
SMILES Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)Br)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 C28H21BrN2O3 MW 513.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O3/c1-16-6-12-20(13-7-16)31-27(33)22-23(28(31)34)25(26(32)18-8-10-19(29)11-9-18)30-15-14-17-4-2-3-5-21(17)24(22)30/h2-15,22-25H,1H3/t22-,23+,24+,25-/m1/s1
InChIKey
JCINEAYDPGMGHI-WSOYEBOPSA-N
Synonyms
956825-82-4
(8R8aS11aR11bR)8((4bromophenyl)carbonyl)10(4methylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8R8aS11aR11bR)8(4bromobenzoyl)10(ptolyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956825824
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Br
Cc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)Br)C=Cc2c1cccc2
InChI=1SC28H21BrN2O3c11661220(13716)3127(33)2223(28(31)34)25(26(32)1881019(29)11918)30151417423521(17)24(22)30h2152225H1H3t2223+24+25m1s1
MFCD18241733
ZINC000049606585
ZINC49606585

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Available files

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