Vitas-M small molecule compound

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

Catalog ID
STL057245
SMILES COc1cccc(c1OC)[C@H]1[C@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2C([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 C35H26N2O7 MW 586.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N2O7/c1-43-27-13-7-11-25(32(27)44-2)29-30(31(38)21-14-17-22(18-15-21)37(41)42)36-26-12-6-3-8-20(26)16-19-28(36)35(29)33(39)23-9-4-5-10-24(23)34(35)40/h3-19,28-30H,1-2H3/t28?,29-,30+/m0/s1
InChIKey
NZVAGZHYYLOOGZ-YHCMTOLSSA-N
Synonyms
1246038-40-3
(1R2R)2(23dimethoxyphenyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(23dimethoxyphenyl)1(4nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(23dimethoxyphenyl)1(4nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
1246038403
COC1=CC=CC(=C1OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
COc1cccc(c1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
COc1cccc(c1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC35H26N2O7c143271371125(32(27)442)2930(31(38)21141722(181521)37(41)42)36261263820(26)161928(36)35(29)33(39)239451024(23)34(35)40h3192830H12H3t28?2930+m0s1
MFCD18192843
ZINC000101670389
ZINC000101670394

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Available files

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