Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(4-butoxyphenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Catalog ID
STK552654
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(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 C31H28N4O6 MW 552.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O6/c1-2-3-18-41-23-15-13-21(14-16-23)33-30(37)26-25-17-8-19-6-4-5-7-24(19)34(25)28(27(26)31(33)38)29(36)32-20-9-11-22(12-10-20)35(39)40/h4-17,25-28H,2-3,18H2,1H3,(H,32,36)/t25-,26-,27-,28+/m0/s1InChIKey
UYRBCFZFYGQGLG-LAJGZZDBSA-NSynonyms
(6aS6bR9aS10R)8(4butoxyphenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
CCCCOc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC31H28N4O6c123184123151321(141623)3330(37)262517819645724(19)34(25)28(27(26)31(33)38)29(36)322091122(121020)35(39)40h4172528H2318H21H3(H3236)t25262728+m0s1
MFCD18242666
ZINC000102462735
ZINC102462735
Check stock
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Check stock on Vitas-MAvailable files
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