Vitas-M small molecule compound
(2E)-6-acetyl-2-(1-{[(5-amino-1H-1,2,4-triazol-3-yl)methyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548022
SMILES Nc1[nH]nc(n1)CN/C(=C/1\C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
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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 C21H21N5O6 MW 439.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O6/c1-7-16(29)14(9(3)27)18-15(17(7)30)21(4)11(32-18)5-10(28)13(19(21)31)8(2)23-6-12-24-20(22)26-25-12/h5,23,29-30H,6H2,1-4H3,(H3,22,24,25,26)/b13-8+InChIKey
VGUAKSIQOXPFLO-MDWZMJQESA-NSynonyms
(2~(E))6acetyl2(1((3amino1~(H)124triazol5yl)methylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E)6acetyl2(1(((5amino1H124triazol3yl)methyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1(((3amino1H124triazol5yl)methyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
122170123
InChI=1SC21H21N5O6c1716(29)14(9(3)27)1815(17(7)30)21(4)11(3218)510(28)13(19(21)31)8(2)236122420(22)262512h5232930H6H214H3(H322242526)b138+
MFCD31756678
Nc1n(nH)c(n1)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253413634
ZINC000409414422
Check stock
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Check stock on Vitas-MAvailable files
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