Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoate
Catalog ID
STK071451
SMILES COC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(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 C18H15NO5 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO5/c1-22-18(21)13-4-2-3-5-14(13)19-17(20)9-7-12-6-8-15-16(10-12)24-11-23-15/h2-10H,11H2,1H3,(H,19,20)/b9-7+InChIKey
SERYIYNGCWBJFA-VQHVLOKHSA-NSynonyms
59282-18-72((E)3BENZO(13)DIOXOL5YLACRYLOYLAMINO)BENZOICACIDMETHYLESTER
59282187
COC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCO3
COC(=O)c1ccccc1NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC18H15NO5c12218(21)13423514(13)1917(20)9712681516(1012)24112315h210H11H21H3(H1920)b97+
METHYL2(((2E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)BENZOATE
METHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)BENZOATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLEN5YL)PROP2ENOYLAMINO)BENZOATE
MFCD00705586
STK071451
ZINC000000182347
ZINC00182347
ZINC182347
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