Vitas-M small molecule compound

6-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoyl]amino}hexanoic acid

Catalog ID
STL304935
SMILES OC(=O)CCCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)Br

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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 C23H23BrN2O6 MW 503.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O6/c24-17-8-6-16(7-9-17)22(29)26-18(23(30)25-11-3-1-2-4-21(27)28)12-15-5-10-19-20(13-15)32-14-31-19/h5-10,12-13H,1-4,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12-
InChIKey
KFOFWRFWGVVFBS-PDGQHHTCSA-N
Synonyms

(E)6(3(benzo(d)(13)dioxol5yl)2(4bromobenzamido)acrylamido)hexanoicacid
6(((2Z)3(13benzodioxol5yl)2(((4bromophenyl)carbonyl)amino)prop2enoyl)amino)hexanoicacid
6(((Z)3(13BENZODIOXOL5YL)2((4BROMOBENZOYL)AMINO)PROP2ENOYL)AMINO)HEXANOICACID
6(3(2HBENZO(34D)13DIOXOLEN5YL)(2Z)2((4BROMOPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)HEXANOICACID
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCCCC(=O)O)NC(=O)C3=CC=C(C=C3)Br
InChI=1SC23H23BrN2O6c24178616(7917)22(29)2618(23(30)2511312421(27)28)12155101920(1315)32143119h5101213H141114H2(H2530)(H2629)(H2728)b1812
MFCD02233176
OC(=O)CCCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)Br
ZINC000013424567
ZINC13424567

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Available files

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