Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-7'-chloro-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
STL042099
SMILES Clc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@H]([C@@]21C(=O)Nc1c2cccc1)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 C33H22ClN3O5 MW 576.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22ClN3O5/c34-22-14-15-26-20(17-22)13-16-27-33(24-11-4-5-12-25(24)35-32(33)40)28(30(38)21-9-6-10-23(18-21)37(41)42)29(36(26)27)31(39)19-7-2-1-3-8-19/h1-18,27-29H,(H,35,40)/t27-,28+,29+,33-/m1/s1
InChIKey
DYEXHBYXRFDPOE-UUQNIDNHSA-N
Synonyms

(1S2S3R3aR)1benzoyl7chloro2(3nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1benzoyl7chloro2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)7chloro2((3nitrophenyl)carbonyl)1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
C1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C6=CC=CC=C6NC3=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
Clc1ccc2c(c1)C=C(C@H)1N2(C@H)(C(=O)c2ccccc2)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC33H22ClN3O5c342214152620(1722)13162733(2411451225(24)3532(33)40)28(30(38)21961023(1821)37(41)42)29(36(26)27)31(39)197213819h1182729H(H3540)t2728+29+33m1s1
MFCD18192483
ZINC000102869520
ZINC102869520

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Available files

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