Vitas-M small molecule compound

(E)-{2-(4-nitrophenyl)-4,5-dioxo-1-[2-(piperazin-1-ium-1-yl)ethyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK563338
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+]1CCNCC1)/[O-])C

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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 C26H30N4O6 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O6/c1-17(2)36-21-9-5-19(6-10-21)24(31)22-23(18-3-7-20(8-4-18)30(34)35)29(26(33)25(22)32)16-15-28-13-11-27-12-14-28/h3-10,17,23,27,31H,11-16H2,1-2H3/b24-22+
InChIKey
HJIKVZBSCRXZAB-ZNTNEXAZSA-N
Synonyms
371118-65-9
(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(4NITROPHENYL)1(2PIPERAZIN1YLETHYL)PYRROLIDINE23DIONE
(E)(2(4nitrophenyl)45dioxo1(2(piperazin1ium1yl)ethyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(4NITROPHENYL)45DIOXO1(2PIPERAZIN1IUM1YLETHYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
371118659
3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)5(4NITROPHENYL)1(2PIPERAZINYLETHYL)3PYRROLIN2ONE
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCNCC3)C4=CC=C(C=C4)(N+)(=O)(O))(O)
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CC(NH+)1CCNCC1)(O))C
InChI=1SC26H30N4O6c117(2)36219519(61021)24(31)2223(183720(8418)30(34)35)29(26(33)25(22)32)161528131127121428h31017232731H1116H212H3b2422+
MFCD18244268
ZINC000102368844
ZINC000102368846

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Available files

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