Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-1'-acetyl-5',7'-dimethyl-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK570481
SMILES Cc1ccc2c(c1)C(=C[C@H]1N2[C@H](C(=O)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-])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 C30H25N3O5 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O5/c1-16-11-12-24-21(13-16)17(2)14-25-30(22-9-4-5-10-23(22)31-29(30)36)26(27(18(3)34)32(24)25)28(35)19-7-6-8-20(15-19)33(37)38/h4-15,25-27H,1-3H3,(H,31,36)/t25-,26+,27-,30-/m1/s1
InChIKey
HXLIQMCRPKSYOP-UUROJUAVSA-N
Synonyms
1214629-83-0
(1S2S3R3aR)1acetyl57dimethyl2((3nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl57dimethyl2(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1acetyl57dimethyl2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
1214629830
CC1=CC2=C(C=C1)N3C(C=C2C)C4(C(C3C(=O)C)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=CC=C6NC4=O
Cc1ccc2c(c1)C(=C(C@H)1N2(C@H)(C(=O)C)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC30H25N3O5c11611122421(1316)17(2)142530(229451023(22)3129(30)36)26(27(18(3)34)32(24)25)28(35)1976820(1519)33(37)38h4152527H13H3(H3136)t2526+2730m1s1
MFCD18245361
ZINC000101107295
ZINC101107295

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Available files

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