Vitas-M small molecule compound

5'-methyl-2'-[(3-nitrophenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL411049
SMILES O=C(C1N2c3ccccc3C(=CC2C2(C1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C)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 C34H25N3O5 MW 555.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25N3O5/c1-20-18-28-34(25-15-6-7-16-26(25)35-33(34)40)29(31(38)22-12-9-13-23(19-22)37(41)42)30(32(39)21-10-3-2-4-11-21)36(28)27-17-8-5-14-24(20)27/h2-19,28-30H,1H3,(H,35,40)
InChIKey
XDOZNDVVDYOVBN-UHFFFAOYSA-N
Synonyms

(1S2S3R3aR)1benzoyl5methyl2(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1benzoyl5methyl2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
5methyl2((3nitrophenyl)carbonyl)1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C5=CC=CC=C5)C(=O)C6=CC(=CC=C6)(N+)(=O)(O))C7=CC=CC=C7NC3=O
InChI=1SC34H25N3O5c120182834(2515671626(25)3533(34)40)29(31(38)221291323(1922)37(41)42)30(32(39)21103241121)36(28)2717851424(20)27h2192830H1H3(H3540)
MFCD30706507
O=C((C@H)1N2c3ccccc3C(=C(C@@H)2(C@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)C)c1ccccc1
O=C(C1N2c3ccccc3C(=CC2C2(C1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)C)c1ccccc1
ZINC000230272370
ZINC000248341998

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Available files

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