Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-2'-(furan-2-ylcarbonyl)-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK567060
SMILES O=C([C@H]1N2c3ccccc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)C)c1ccc(cc1)[N+](=O)[O-]

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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 C32H23N3O6 MW 545.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N3O6/c1-18-17-26-32(22-8-3-4-9-23(22)33-31(32)38)27(30(37)25-11-6-16-41-25)28(34(26)24-10-5-2-7-21(18)24)29(36)19-12-14-20(15-13-19)35(39)40/h2-17,26-28H,1H3,(H,33,38)/t26-,27+,28+,32-/m1/s1
InChIKey
IIGHFBBSFNYSHR-QODLHPCFSA-N
Synonyms
1177777-96-6
(1S2S3R3aR)2(furan2carbonyl)5methyl1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2(furan2carbonyl)5methyl1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)2(furan2ylcarbonyl)5methyl1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177777966
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C6=CC=CO6)C7=CC=CC=C7NC3=O
InChI=1SC32H23N3O6c118172632(22834923(22)3331(32)38)27(30(37)25116164125)28(34(26)241052721(18)24)29(36)19121420(151319)35(39)40h2172628H1H3(H3338)t2627+28+32m1s1
MFCD18245129
O=C((C@H)1N2c3ccccc3C(=C(C@@H)2(C@)2((C@@H)1C(=O)c1ccco1)C(=O)Nc1c2cccc1)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000101208986
ZINC101208986

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Available files

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