Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL052414
SMILES O=C([C@H]1N2c3ccccc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)C)c1ccc(cc1)[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/c1-20-19-28-34(25-12-6-7-13-26(25)35-33(34)40)29(31(38)21-9-3-2-4-10-21)30(36(28)27-14-8-5-11-24(20)27)32(39)22-15-17-23(18-16-22)37(41)42/h2-19,28-30H,1H3,(H,35,40)/t28-,29+,30+,34-/m1/s1
InChIKey
YEKSFGXTSXPVKO-WFPUBZAHSA-N
Synonyms

(1S2S3R3aR)2benzoyl5methyl1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2benzoyl5methyl1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)5methyl1((4nitrophenyl)carbonyl)2(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
CC1=CC2C3(C(C(N2C4=CC=CC=C14)C(=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C6=CC=CC=C6)C7=CC=CC=C7NC3=O
InChI=1SC34H25N3O5c120192834(2512671326(25)3533(34)40)29(31(38)2193241021)30(36(28)2714851124(20)27)32(39)22151723(181622)37(41)42h2192830H1H3(H3540)t2829+30+34m1s1
MFCD18249462
O=C((C@H)1N2c3ccccc3C(=C(C@@H)2(C@)2((C@@H)1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000102889741
ZINC102889741

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Available files

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