Vitas-M small molecule compound

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

Catalog ID
STL052301
SMILES O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])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 C33H22N4O7 MW 586.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22N4O7/c38-30(21-7-5-8-23(18-21)37(43)44)28-29(31(39)20-12-15-22(16-13-20)36(41)42)35-26-11-4-1-6-19(26)14-17-27(35)33(28)24-9-2-3-10-25(24)34-32(33)40/h1-18,27-29H,(H,34,40)/t27-,28+,29+,33-/m1/s1
InChIKey
JOLGNNANNAVUIK-UUQNIDNHSA-N
Synonyms

(1S2S3R3aR)2((3nitrophenyl)carbonyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(3nitrobenzoyl)1(4nitrobenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2(3nitrobenzoyl)1(4nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
C1=CC=C2C(=C1)C=CC3N2C(C(C34C5=CC=CC=C5NC4=O)C(=O)C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC33H22N4O7c3830(2175823(1821)37(43)44)2829(31(39)20121522(161320)36(41)42)35261141619(26)141727(35)33(28)249231025(24)3432(33)40h1182729H(H3440)t2728+29+33m1s1
MFCD18192701
O=C((C@H)1N2c3ccccc3C=C(C@@H)2(C@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000102889847
ZINC102889847

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Available files

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