Vitas-M small molecule compound

4-{[3-(2,3-dihydro-1,4-benzodioxin-2-yl)propanoyl]amino}benzoic acid

Catalog ID
STK596902
SMILES O=C(Nc1ccc(cc1)C(=O)O)CCC1COc2c(O1)cccc2

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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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c20-17(19-13-7-5-12(6-8-13)18(21)22)10-9-14-11-23-15-3-1-2-4-16(15)24-14/h1-8,14H,9-11H2,(H,19,20)(H,21,22)
InChIKey
IVUYPNUFWGRCKV-UHFFFAOYSA-N
Synonyms
898917-89-0
4((3(23dihydro14benzodioxin2yl)propanoyl)amino)benzoicacid
4(3(23DIHYDRO14BENZODIOXIN3YL)PROPANOYLAMINO)BENZOICACID
4(3(23dihydrobenzo(b)(14)dioxin2yl)propanamido)benzoicacid
898917890
C1C(OC2=CC=CC=C2O1)CCC(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC18H17NO5c2017(19137512(6813)18(21)22)10914112315312416(15)2414h1814H911H2(H1920)(H2122)
MFCD07640000
ZINC000005429097
ZINC000005429099

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Available files

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