Vitas-M small molecule compound
5-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]furan-2-sulfonate
Catalog ID
STK379556
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(o1)S(=O)(=O)[O-]
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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 C22H16N3O8S MW 482.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O8S/c26-21(15-4-2-1-3-5-15)24-17(10-14-6-8-18-19(11-14)32-13-31-18)22(27)25-23-12-16-7-9-20(33-16)34(28,29)30/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29,30)/p-1/b17-10+,23-12+InChIKey
SRQGZPBFZIOQEJ-LHDDCWEUSA-MSynonyms
5((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)furan2sulfonate
5((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)furan2sulfonate
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC=C(O3)S(=O)(=O)(O))NC(=O)C4=CC=CC=C4
InChI=1SC22H17N3O8Sc2621(154213515)2417(1014681819(1114)32133118)22(27)252312167920(3316)34(2829)30h112H13H2(H2426)(H2527)(H282930)p1b1710+2312+
MFCD01146919
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(o1)S(=O)(=O)(O)
ZINC000016157907
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