Vitas-M small molecule compound

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

Catalog ID
STL054954
SMILES O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)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 C32H22N4O5 MW 542.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22N4O5/c37-29(21-15-17-33-18-16-21)27-28(30(38)20-9-12-22(13-10-20)36(40)41)35-25-8-4-1-5-19(25)11-14-26(35)32(27)23-6-2-3-7-24(23)34-31(32)39/h1-18,26-28H,(H,34,39)/t26-,27+,28+,32-/m1/s1
InChIKey
GAPOEWQYCCWKTE-QODLHPCFSA-N
Synonyms
1177641-34-7
(1S2S3R3aR)1((4nitrophenyl)carbonyl)2(pyridin4ylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1(4nitrobenzoyl)2(pyridine4carbonyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)2isonicotinoyl1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177641347
C1=CC=C2C(=C1)C=CC3N2C(C(C34C5=CC=CC=C5NC4=O)C(=O)C6=CC=NC=C6)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC32H22N4O5c3729(21151733181621)2728(30(38)2091222(131020)36(40)41)3525841519(25)111426(35)32(27)23623724(23)3431(32)39h1182628H(H3439)t2627+28+32m1s1
MFCD18249641
O=C((C@H)1N2c3ccccc3C=C(C@@H)2(C@)2((C@@H)1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000101184032
ZINC101184032

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Available files

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