Vitas-M small molecule compound
6-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(5-bromofuran-2-yl)carbonyl]amino}prop-2-enoyl]amino}hexanoic acid
Catalog ID
STK700130
SMILES OC(=O)CCCCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccc(o1)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 C21H21BrN2O7 MW 493.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O7/c22-18-8-7-16(31-18)21(28)24-14(20(27)23-9-3-1-2-4-19(25)26)10-13-5-6-15-17(11-13)30-12-29-15/h5-8,10-11H,1-4,9,12H2,(H,23,27)(H,24,28)(H,25,26)/b14-10+InChIKey
CQZOLSNRNSGRIR-GXDHUFHOSA-NSynonyms
304879-31-0(E)6(3(benzo(d)(13)dioxol5yl)2(5bromofuran2carboxamido)acrylamido)hexanoicacid
304879310
6(((2E)3(13benzodioxol5yl)2(((5bromofuran2yl)carbonyl)amino)prop2enoyl)amino)hexanoicacid
6(((E)3(13BENZODIOXOL5YL)2((5BROMOFURAN2CARBONYL)AMINO)PROP2ENOYL)AMINO)HEXANOICACID
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCCCC(=O)O)NC(=O)C3=CC=C(O3)Br
InChI=1SC21H21BrN2O7c22188716(3118)21(28)2414(20(27)239312419(25)26)1013561517(1113)30122915h581011H14912H2(H2327)(H2428)(H2526)b1410+
MFCD00698807
OC(=O)CCCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(o1)Br
ZINC000002344757
ZINC2344757
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