Vitas-M small molecule compound
N~3~-{(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-(4-methyl-1,3-thiazol-2-yl)-beta-alaninamide
Catalog ID
STL548619
SMILES O=C(Nc1scc(n1)C)CCN/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 C25H25N3O7S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O7S/c1-10-9-36-24(27-10)28-16(31)6-7-26-12(3)17-14(30)8-15-25(5,23(17)34)19-21(33)11(2)20(32)18(13(4)29)22(19)35-15/h8-9,26,32-33H,6-7H2,1-5H3,(H,27,28,31)/b17-12+/t25-/m0/s1InChIKey
QALPSDCFRWMVHS-GCTXXEFPSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(4methylthiazol2yl)propanamide
110206471
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(4methyl13thiazol2yl)propanamide
InChI=1SC25H25N3O7Sc11093624(2710)2816(31)672612(3)1714(30)81525(523(17)34)1921(33)11(2)20(32)18(13(4)29)22(19)3515h89263233H67H215H3(H272831)b1712+t25m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(4methyl13thiazol2yl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(4METHYL13THIAZOL2YL)BETAALANINAMIDE
O=C(Nc1scc(n1)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253412151
ZINC253412151
Check stock
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