Vitas-M small molecule compound

(1'S,2'S,3a'R)-2'-(4-methoxyphenyl)-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STK554408
SMILES COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

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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 C34H24N2O6 MW 556.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H24N2O6/c1-42-24-16-13-21(14-17-24)29-30(31(37)22-8-6-9-23(19-22)36(40)41)35-27-12-5-2-7-20(27)15-18-28(35)34(29)32(38)25-10-3-4-11-26(25)33(34)39/h2-19,28-30H,1H3/t28-,29-,30+/m1/s1
InChIKey
JTRSKHNHDZNKBW-OCBJUFRSSA-N
Synonyms

(1S2S3aR)2(4methoxyphenyl)1((3nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1S2S3aR)2(4methoxyphenyl)1(3nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1S2S3aR)2(4methoxyphenyl)1(3nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
COC1=CC=C(C=C1)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC34H24N2O6c14224161321(141724)2930(31(37)2286923(1922)36(40)41)35271252720(27)151828(35)34(29)32(38)2510341126(25)33(34)39h2192830H1H3t282930+m1s1
ZINC000102636394
ZINC102636394

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Available files

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