Vitas-M small molecule compound

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

Catalog ID
STL048477
SMILES COc1cccc(c1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1

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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 C34H25N3O6 MW 571.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H25N3O6/c1-43-24-12-7-10-22(19-24)32(39)30-29(31(38)21-9-6-11-23(18-21)37(41)42)34(25-13-3-4-14-26(25)35-33(34)40)28-17-16-20-8-2-5-15-27(20)36(28)30/h2-19,28-30H,1H3,(H,35,40)/t28-,29+,30+,34-/m1/s1
InChIKey
WPRUOCSKEYLTNL-WFPUBZAHSA-N
Synonyms

(1S2S3R3aR)1((3methoxyphenyl)carbonyl)2((3nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1(3methoxybenzoyl)2(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1(3methoxybenzoyl)2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
COC1=CC=CC(=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C6=CC=CC=C6NC3=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
COc1cccc(c1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2(C@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1
InChI=1SC34H25N3O6c143241271022(1924)32(39)3029(31(38)21961123(1821)37(41)42)34(2513341426(25)3533(34)40)281716208251527(20)36(28)30h2192830H1H3(H3540)t2829+30+34m1s1
MFCD18192592
ZINC000102884827
ZINC102884827

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Available files

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