Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-2'-[(3-methoxyphenyl)carbonyl]-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
STL054348
SMILES COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)[N+](=O)[O-])N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C

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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 C35H27N3O6 MW 585.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O6/c1-20-18-29-35(26-11-4-5-12-27(26)36-34(35)41)30(32(39)22-8-7-9-24(19-22)44-2)31(37(29)28-13-6-3-10-25(20)28)33(40)21-14-16-23(17-15-21)38(42)43/h3-19,29-31H,1-2H3,(H,36,41)/t29-,30+,31+,35-/m1/s1
InChIKey
HKAUMPZMOFDTTB-ZXFZPVEDSA-N
Synonyms
1246056-72-3
(1S2S3R3aR)2((3methoxyphenyl)carbonyl)5methyl1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(3methoxybenzoyl)5methyl1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2(3methoxybenzoyl)5methyl1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
1246056723
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C6=CC(=CC=C6)OC)C7=CC=CC=C7NC3=O
COc1cccc(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C
InChI=1SC35H27N3O6c120182935(2611451227(26)3634(35)41)30(32(39)2287924(1922)442)31(37(29)2813631025(20)28)33(40)21141623(171521)38(42)43h3192931H12H3(H3641)t2930+31+35m1s1
MFCD18192740
ZINC000101670719
ZINC101670719

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Available files

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