Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-8'-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
STL052909
SMILES Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H]([C@@]3([C@H]1C=C2)C(=O)Nc1c3cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

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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/c1-20-14-15-21-16-17-28-34(25-12-5-6-13-26(25)35-33(34)40)29(31(38)23-10-7-11-24(19-23)37(41)42)30(36(28)27(21)18-20)32(39)22-8-3-2-4-9-22/h2-19,28-30H,1H3,(H,35,40)/t28-,29+,30+,34-/m1/s1
InChIKey
SETJNAPNEKCWEW-WFPUBZAHSA-N
Synonyms

(1S2S3R3aR)1benzoyl8methyl2(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1benzoyl8methyl2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)8methyl2((3nitrophenyl)carbonyl)1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
CC1=CC2=C(C=CC3N2C(C(C34C5=CC=CC=C5NC4=O)C(=O)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C7=CC=CC=C7)C=C1
Cc1ccc2c(c1)N1(C@H)(C(=O)c3ccccc3)(C@H)((C@@)3((C@H)1C=C2)C(=O)Nc1c3cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC34H25N3O5c12014152116172834(2512561326(25)3533(34)40)29(31(38)231071124(1923)37(41)42)30(36(28)27(21)1820)32(39)228324922h2192830H1H3(H3540)t2829+30+34m1s1
MFCD18192713
ZINC000102890429
ZINC102890429

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Available files

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