Vitas-M small molecule compound

(1R,2R,3R)-1,6-dicyano-3-[(4-methoxyphenyl)carbonyl]-2-(3-nitrophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxamide

Catalog ID
STL007161
SMILES N#CC1=CN2C(C=C1)[C@]([C@H]([C@@H]2C(=O)c1ccc(cc1)OC)c1cccc(c1)[N+](=O)[O-])(C#N)C(=O)N

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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 C25H19N5O5 MW 469.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5O5/c1-35-19-8-6-16(7-9-19)23(31)22-21(17-3-2-4-18(11-17)30(33)34)25(14-27,24(28)32)20-10-5-15(12-26)13-29(20)22/h2-11,13,20-22H,1H3,(H2,28,32)/t20?,21-,22+,25-/m0/s1
InChIKey
ATDDEBYZFBSWIX-RAKUZBCXSA-N
Synonyms
1013869-89-0
(1R2R3R)16dicyano3((4methoxyphenyl)carbonyl)2(3nitrophenyl)1238atetrahydroindolizine1carboxamide
(1R2R3R)16dicyano3(4methoxybenzoyl)2(3nitrophenyl)1238atetrahydroindolizine1carboxamide
(1R2R3R)16dicyano3(4methoxybenzoyl)2(3nitrophenyl)38adihydro2Hindolizine1carboxamide
1013869890
COC1=CC=C(C=C1)C(=O)C2C(C(C3N2C=C(C=C3)C#N)(C#N)C(=O)N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC25H19N5O5c135198616(7919)23(31)2221(1732418(1117)30(33)34)25(142724(28)32)2010515(1226)1329(20)22h211132022H1H3(H22832)t20?2122+25m0s1
MFCD18247157
N#CC1=CN2C(C=C1)(C@)((C@H)((C@@H)2C(=O)c1ccc(cc1)OC)c1cccc(c1)(N+)(=O)(O))(C#N)C(=O)N
ZINC000009267040
ZINC000013815720

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Available files

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