Vitas-M small molecule compound

4-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)butanoic acid

Catalog ID
STL512855
SMILES OC(=O)CCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

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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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c24-19(25)7-4-10-22-21(27)16(23-20(26)15-5-2-1-3-6-15)11-14-8-9-17-18(12-14)29-13-28-17/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,27)(H,23,26)(H,24,25)/b16-11+
InChIKey
QTPFUIAGPZZARX-LFIBNONCSA-N
Synonyms
330454-07-4
(E)4(2benzamido3(benzo(d)(13)dioxol5yl)acrylamido)butanoicacid
1747821
330454074
4(((~(E))2benzamido3(13benzodioxol5yl)prop2enoyl)amino)butanoicacid
4(((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)amino)butanoicacid
4(((E)2BENZAMIDO3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)BUTANOICACID
4((2E)3(2HBENZO(34D)13DIOXOLAN5YL)2(PHENYLCARBONYLAMINO)PROP2ENOYLAMINO)BUTANOICACID
4(3BENZO(13)DIOXOL5YL2BENZOYLAMINOACRYLOYLAMINO)BUTYRICACID
InChI=1SC21H20N2O6c2419(25)74102221(27)16(2320(26)155213615)1114891718(1214)29132817h1356891112H471013H2(H2227)(H2326)(H2425)b1611+
MFCD00699007
OC(=O)CCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
ZINC000002090735
ZINC2090735

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Available files

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