Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK564967
SMILES C[NH+](CCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-16(2)34-20-12-8-18(9-13-20)23(29)21-22(17-6-10-19(11-7-17)28(32)33)27(25(31)24(21)30)15-5-14-26(3)4/h6-13,16,22,29H,5,14-15H2,1-4H3/b23-21+InChIKey
PSRJEXFZVREBMF-XTQSDGFTSA-NSynonyms
371116-52-8(E)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
371116528
C(NH+)(CCCN1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)(N+)(=O)(O))O
InChI=1SC25H29N3O6c116(2)342012818(91320)23(29)2122(1761019(11717)28(32)33)27(25(31)24(21)30)1551426(3)4h613162229H51415H214H3b2321+
MFCD08732330
ZINC000102531679
ZINC000102531687
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