Vitas-M small molecule compound
6-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Catalog ID
STL148106
SMILES OC(=O)CCCCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=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 C23H21ClN2O7 MW 472.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O7/c24-16-10-8-14(9-11-16)21(29)19-20(15-5-4-6-17(13-15)26(32)33)25(23(31)22(19)30)12-3-1-2-7-18(27)28/h4-6,8-11,13,20,29H,1-3,7,12H2,(H,27,28)/b21-19+InChIKey
JYBZJZPRFFOHEI-XUTLUUPISA-NSynonyms
425398-12-5425398125
6((3E)3((4chlorophenyl)(hydroxy)methylidene)2(3nitrophenyl)45dioxopyrrolidin1yl)hexanoicacid
6((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(3NITROPHENYL)45DIOXOPYRROLIDIN1YL)HEXANOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCCCCC(=O)O
InChI=1SC23H21ClN2O7c241610814(91116)21(29)1920(1554617(1315)26(32)33)25(23(31)22(19)30)12312718(27)28h46811132029H13712H2(H2728)b2119+
MFCD03811594
OC(=O)CCCCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)Cl)O)C(=O)C1=O
ZINC000102926381
ZINC000102926384
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