Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL549975
SMILES COc1ccc(cc1N1CCCCS1(=O)=O)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 C29H30N2O9S MW 582.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O9S/c1-14-25(34)23(16(3)32)27-24(26(14)35)29(4)21(40-27)13-19(33)22(28(29)36)15(2)30-17-8-9-20(39-5)18(12-17)31-10-6-7-11-41(31,37)38/h8-9,12-13,30,34-35H,6-7,10-11H2,1-5H3/b22-15+/t29-/m0/s1InChIKey
BWQUQOYBKFAQHQ-NKVKBKOUSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(3(11dioxothiazinan2yl)4methoxyanilino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((3(11dioxido12thiazinan2yl)4methoxyphenyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((3(11dioxido12thiazinan2yl)4methoxyphenyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
127253047
COc1ccc(cc1N1CCCCS1(=O)=O)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC29H30N2O9Sc11425(34)23(16(3)32)2724(26(14)35)29(4)21(4027)1319(33)22(28(29)36)15(2)30178920(395)18(1217)3110671141(3137)38h891213303435H671011H215H3b2215+t29m0s1
ZINC000604404305
ZINC604404305
Check stock
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Check stock on Vitas-MAvailable files
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