Vitas-M small molecule compound
N~2~-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)glycinamide
Catalog ID
STL546824
SMILES COc1ccc2c(c1)sc(n2)NC(=O)CN/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 C28H25N3O8S MW 563.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O8S/c1-11-23(35)21(13(3)32)25-22(24(11)36)28(4)18(39-25)9-16(33)20(26(28)37)12(2)29-10-19(34)31-27-30-15-7-6-14(38-5)8-17(15)40-27/h6-9,29,35-36H,10H2,1-5H3,(H,30,31,34)/b20-12+/t28-/m0/s1InChIKey
VJRRBJFGQZYRSC-XGOYUMGASA-NSynonyms
(RE)2((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)N(6METHOXYBENZO(D)THIAZOL2YL)ACETAMIDE
110206025
2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(6methoxy13benzothiazol2yl)acetamide
COc1ccc2c(c1)sc(n2)NC(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H25N3O8Sc11123(35)21(13(3)32)2522(24(11)36)28(4)18(3925)916(33)20(26(28)37)12(2)291019(34)312730157614(385)817(15)4027h69293536H10H215H3(H303134)b2012+t28m0s1
N~2~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(6methoxy13benzothiazol2yl)glycinamide
N2((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(6METHOXY13BENZOTHIAZOL2YL)GLYCINAMIDE
ZINC000253413667
ZINC253413667
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