Vitas-M small molecule compound
(2E)-4-{(1,3-benzodioxol-5-ylmethyl)[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK051439
SMILES OC(=O)/C=C/C(=O)N(C1CC(=O)N(C1=O)c1cccc(c1)Cl)Cc1ccc2c(c1)OCO2
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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 C22H17ClN2O7 MW 456.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O7/c23-14-2-1-3-15(9-14)25-20(27)10-16(22(25)30)24(19(26)6-7-21(28)29)11-13-4-5-17-18(8-13)32-12-31-17/h1-9,16H,10-12H2,(H,28,29)/b7-6+InChIKey
POSBQVSFOPFNEA-VOTSOKGWSA-NSynonyms
(2E)4((13BENZODIOXOL5YLMETHYL)(1(3CHLOROPHENYL)25DIOXOPYRROLIDIN3YL)AMINO)4OXOBUT2ENOICACID
(E)4((benzo(d)(13)dioxol5ylmethyl)(1(3chlorophenyl)25dioxopyrrolidin3yl)amino)4oxobut2enoicacid
(E)4(13BENZODIOXOL5YLMETHYL(1(3CHLOROPHENYL)25DIOXOPYRROLIDIN3YL)AMINO)4OXOBUT2ENOICACID
C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)N(CC3=CC4=C(C=C3)OCO4)C(=O)C=CC(=O)O
InChI=1SC22H17ClN2O7c231421315(914)2520(27)1016(22(25)30)24(19(26)6721(28)29)1113451718(813)32123117h1916H1012H2(H2829)b76+
MFCD01625895
OC(=O)C=CC(=O)N(C1CC(=O)N(C1=O)c1cccc(c1)Cl)Cc1ccc2c(c1)OCO2
STK051439
ZINC000009013860
ZINC000018106835
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