Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[2-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)hydrazinyl]prop-1-en-2-yl}benzamide
Catalog ID
STK371780
SMILES O=C1NC(=O)C(=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)C(=O)N1
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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 C21H15N5O7 MW 449.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O7/c27-17(12-4-2-1-3-5-12)22-13(8-11-6-7-14-15(9-11)33-10-32-14)18(28)26-25-16-19(29)23-21(31)24-20(16)30/h1-9H,10H2,(H,22,27)(H,26,28)(H2,23,24,29,30,31)/b13-8+InChIKey
CXWITBOHHUROOX-MDWZMJQESA-NSynonyms
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=C3C(=O)NC(=O)NC3=O)NC(=O)C4=CC=CC=C4
InChI=1SC21H15N5O7c2717(124213512)2213(811671415(911)33103214)18(28)26251619(29)2321(31)2420(16)30h19H10H2(H2227)(H2628)(H22324293031)b138+
MFCD02104534
N((1E)1(13benzodioxol5yl)3oxo3(2(246trioxotetrahydropyrimidin5(2H)ylidene)hydrazinyl)prop1en2yl)benzamide
N((E)1(13BENZODIOXOL5YL)3OXO3(2(246TRIOXO13DIAZINAN5YLIDENE)HYDRAZINYL)PROP1EN2YL)BENZAMIDE
O=C1NC(=O)C(=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)C(=O)N1
ZINC000003139596
ZINC03139596
ZINC3139596
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