Vitas-M small molecule compound
3-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoyl]amino}propyl acetate
Catalog ID
STL304933
SMILES CC(=O)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 C22H21BrN2O6 MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O6/c1-14(26)29-10-2-9-24-22(28)18(25-21(27)16-4-6-17(23)7-5-16)11-15-3-8-19-20(12-15)31-13-30-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,28)(H,25,27)/b18-11-InChIKey
SJYYBZYXTWJNIT-WQRHYEAKSA-NSynonyms
(E)3(3(benzo(d)(13)dioxol5yl)2(4bromobenzamido)acrylamido)propylacetate
3(((2Z)3(13benzodioxol5yl)2(((4bromophenyl)carbonyl)amino)prop2enoyl)amino)propylacetate
3(((Z)3(13BENZODIOXOL5YL)2((4BROMOBENZOYL)AMINO)PROP2ENOYL)AMINO)PROPYLACETATE
3(3(2HBENZO(34D)13DIOXOLEN5YL)(2Z)2((4BROMOPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)PROPYLACETATE
CC(=O)OCCCNC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br
CC(=O)OCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)Br
InChI=1SC22H21BrN2O6c114(26)2910292422(28)18(2521(27)164617(23)7516)1115381920(1215)31133019h381112H291013H21H3(H2428)(H2527)b1811
MFCD02223947
ZINC000002279868
ZINC02279868
ZINC2279868
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