Vitas-M small molecule compound
(3aS,4R,9aS,9bR)-2-(4-bromophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Catalog ID
STK554737
SMILES N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)Br)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 C24H15BrN4O5 MW 519.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H15BrN4O5/c25-15-4-6-16(7-5-15)28-23(31)19-18-10-13(12-26)8-9-27(18)21(20(19)24(28)32)22(30)14-2-1-3-17(11-14)29(33)34/h1-11,18-21H/t18-,19-,20-,21+/m0/s1InChIKey
BCOCWDQCPRYCFE-XSDIEEQYSA-NSynonyms
1013750-45-2(3aS4R9aS9bR)2(4bromophenyl)4((3nitrophenyl)carbonyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(4bromophenyl)4(3nitrobenzoyl)13dioxo233a49a9bhexahydro1Hpyrrolo(34a)indolizine8carbonitrile
(3aS4R9aS9bR)2(4bromophenyl)4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(34a)indolizine8carbonitrile
1013750452
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)C2C3C(C4N2C=CC(=C4)C#N)C(=O)N(C3=O)C5=CC=C(C=C5)Br
InChI=1SC24H15BrN4O5c25154616(7515)2823(31)19181013(1226)8927(18)21(20(19)24(28)32)22(30)1421317(1114)29(33)34h1111821Ht18192021+m0s1
MFCD18242823
N#CC1=C(C@@H)2N(C=C1)(C@H)((C@@H)1(C@H)2C(=O)N(C1=O)c1ccc(cc1)Br)C(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000101030669
ZINC101030669
Check stock
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Check stock on Vitas-MAvailable files
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