Vitas-M small molecule compound

N-{(1Z)-1-(1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-bromobenzamide

Catalog ID
STK002595
SMILES OCCCNC(=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 C20H19BrN2O5 MW 447.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O5/c21-15-5-3-14(4-6-15)19(25)23-16(20(26)22-8-1-9-24)10-13-2-7-17-18(11-13)28-12-27-17/h2-7,10-11,24H,1,8-9,12H2,(H,22,26)(H,23,25)/b16-10-
InChIKey
VDFWCHYCMRGYFV-YBEGLDIGSA-N
Synonyms

(E)N(1(benzo(d)(13)dioxol5yl)3((3hydroxypropyl)amino)3oxoprop1en2yl)4bromobenzamide
3(2HBENZO(34D)13DIOXOLEN5YL)(2Z)2((4BROMOPHENYL)CARBONYLAMINO)N(3HYDROXYPROPYL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCO)NC(=O)C3=CC=C(C=C3)Br
InChI=1SC20H19BrN2O5c21155314(4615)19(25)2316(20(26)2281924)1013271718(1113)28122717h27101124H18912H2(H2226)(H2325)b1610
MFCD02223945
N((1Z)1(13BENZODIOXOL5YL)3((3HYDROXYPROPYL)AMINO)3OXOPROP1EN2YL)4BROMOBENZAMIDE
N((Z)1(13BENZODIOXOL5YL)3(3HYDROXYPROPYLAMINO)3OXOPROP1EN2YL)4BROMOBENZAMIDE
OCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)Br
STK002595
ZINC000008916173
ZINC08916173
ZINC8916173

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Available files

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