Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-(1-{[(4-methoxyphenyl)(1-methyl-1H-1,2,4-triazol-3-yl)methyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548209
SMILES COc1ccc(cc1)C(c1ncn(n1)C)N/C(=C/1\C(=O)C=C2[C@@](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 C29H28N4O7 MW 544.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O7/c1-13-24(36)21(15(3)34)26-22(25(13)37)29(4)19(40-26)11-18(35)20(27(29)38)14(2)31-23(28-30-12-33(5)32-28)16-7-9-17(39-6)10-8-16/h7-12,23,31,36-37H,1-6H3/b20-14+/t23?,29-/m0/s1InChIKey
GJVMVXFVCYMTFL-OVKQYQJOSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(((4methoxyphenyl)(1methyl124triazol3yl)methyl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1(((4methoxyphenyl)(1methyl1H124triazol3yl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1(((4methoxyphenyl)(1methyl1H124triazol3yl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541290
COc1ccc(cc1)C(c1ncn(n1)C)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC29H28N4O7c11324(36)21(15(3)34)2622(25(13)37)29(4)19(4026)1118(35)20(27(29)38)14(2)3123(28301233(5)3228)167917(396)10816h71223313637H16H3b2014+t23?29m0s1
ZINC000263585216
ZINC000263585217
Check stock
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Check stock on Vitas-MAvailable files
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