Vitas-M small molecule compound
(2E)-6-acetyl-7,9-dihydroxy-2-[1-({[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl](4-methoxyphenyl)methyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL550884
SMILES COCc1n[nH]c(n1)C(c1ccc(cc1)OC)N/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 C30H30N4O8 MW 574.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O8/c1-13-25(37)22(15(3)35)27-23(26(13)38)30(4)19(42-27)11-18(36)21(28(30)39)14(2)31-24(16-7-9-17(41-6)10-8-16)29-32-20(12-40-5)33-34-29/h7-11,24,31,37-38H,12H2,1-6H3,(H,32,33,34)/b21-14+InChIKey
CRLHPHNFFFRTHA-KGENOOAVSA-NSynonyms
(2~(E))6acetyl79dihydroxy2(1(((5(methoxymethyl)1~(H)124triazol3yl)(4methoxyphenyl)methyl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E)6acetyl79dihydroxy2(1(((3(methoxymethyl)1H124triazol5yl)(4methoxyphenyl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1(((5(methoxymethyl)1H124triazol3yl)(4methoxyphenyl)methyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
132285982
COCc1(nH)nc(n1)C(c1ccc(cc1)OC)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC30H30N4O8c11325(37)22(15(3)35)2723(26(13)38)30(4)19(4227)1118(36)21(28(30)39)14(2)3124(167917(416)10816)293220(12405)333429h71124313738H12H216H3(H323334)b2114+
MFCD31757830
ZINC000263584982
ZINC000888089017
Check stock
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Check stock on Vitas-MAvailable files
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