Vitas-M small molecule compound
(2E)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-phenyl-1-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548938
SMILES C/C(=C\1/C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NC(c1n[nH]c(n1)C(C)C)Cc1ccccc1
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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 C31H32N4O6 MW 556.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O6/c1-14(2)29-33-30(35-34-29)19(12-18-10-8-7-9-11-18)32-16(4)22-20(37)13-21-31(6,28(22)40)24-26(39)15(3)25(38)23(17(5)36)27(24)41-21/h7-11,13-14,19,32,38-39H,12H2,1-6H3,(H,33,34,35)/b22-16+InChIKey
OBVATQGTDGLPOL-CJLVFECKSA-NSynonyms
(2~(E))6acetyl79dihydroxy89~(b)dimethyl2(1((2phenyl1(3propan2yl1~(H)124triazol5yl)ethyl)amino)ethylidene)dibenzofuran13dione
(2E)6acetyl79dihydroxy89bdimethyl2(1((2phenyl1(5(propan2yl)1H124triazol3yl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((1(3isopropyl1H124triazol5yl)2phenylethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
122170152
CC(c1n(nH)c(n1)C(NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)Cc1ccccc1)C
InChI=1SC31H32N4O6c114(2)293330(353429)19(1218108791118)3216(4)2220(37)132131(628(22)40)2426(39)15(3)25(38)23(17(5)36)27(24)4121h711131419323839H12H216H3(H333435)b2216+
MFCD31756838
ZINC000263585942
ZINC000409415540
Check stock
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Check stock on Vitas-MAvailable files
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