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-[2-(propan-2-yl)phenyl]-beta-alaninamide
Catalog ID
STL547429
SMILES O=C(Nc1ccccc1C(C)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 C30H32N2O7 MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7/c1-14(2)18-9-7-8-10-19(18)32-22(35)11-12-31-16(4)23-20(34)13-21-30(6,29(23)38)25-27(37)15(3)26(36)24(17(5)33)28(25)39-21/h7-10,13-14,31,36-37H,11-12H2,1-6H3,(H,32,35)/b23-16+/t30-/m0/s1InChIKey
BCWWSURNKRNAHC-TYZGFQJPSA-NSynonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(2isopropylphenyl)propanamide
110206787
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(2propan2ylphenyl)propanamide
InChI=1SC30H32N2O7c114(2)189781019(18)3222(35)11123116(4)2320(34)132130(629(23)38)2527(37)15(3)26(36)24(17(5)33)28(25)3921h7101314313637H1112H216H3(H3235)b2316+t30m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(2(propan2yl)phenyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(2(PROPAN2YL)PHENYL)BETAALANINAMIDE
O=C(Nc1ccccc1C(C)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253396495
ZINC253396495
Check stock
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