Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3-nitrophenyl)carbonyl]-2'-(pyridin-3-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK592565
SMILES O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3)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 C32H22N4O5 MW 542.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22N4O5/c37-28(21-9-6-15-33-18-21)26-27(29(38)20-8-5-10-22(17-20)36(40)41)35-16-14-19-7-1-2-11-23(19)30(35)32(26)24-12-3-4-13-25(24)34-31(32)39/h1-18,26-27,30H,(H,34,39)/t26-,27-,30+,32+/m0/s1
InChIKey
BAESHRZXCGUVQV-DJLQPTFLSA-N
Synonyms
1177365-13-7
(1S2S3S10bR)2nicotinoyl3(3nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3nitrophenyl)carbonyl)2(pyridin3ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3nitrobenzoyl)2(pyridine3carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177365137
C1=CC=C2C3C4(C(C(N3C=CC2=C1)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C6=CN=CC=C6)C7=CC=CC=C7NC4=O
InChI=1SC32H22N4O5c3728(219615331821)2627(29(38)20851022(1720)36(40)41)351614197121123(19)30(35)32(26)2412341325(24)3431(32)39h118262730H(H3439)t262730+32+m0s1
MFCD18245943
O=C((C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3)c1cccc(c1)(N+)(=O)(O)
ZINC000101263514
ZINC101263514

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Available files

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