Vitas-M small molecule compound

1-[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}amino)ethyl]-3-phenylurea

Catalog ID
STL548387
SMILES O=C(Nc1ccccc1)NCCN/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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-13-22(33)20(15(3)31)24-21(23(13)34)27(4)18(37-24)12-17(32)19(25(27)35)14(2)28-10-11-29-26(36)30-16-8-6-5-7-9-16/h5-9,12,28,33-34H,10-11H2,1-4H3,(H2,29,30,36)/b19-14+/t27-/m0/s1
InChIKey
VUGOGLQEAHHCMH-ZICGYBOYSA-N
Synonyms

(RE)1(2((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)ethyl)3phenylurea
1(2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)ethyl)3phenylurea
1(2(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)ethyl)3phenylurea
110206919
InChI=1SC27H27N3O7c11322(33)20(15(3)31)2421(23(13)34)27(4)18(3724)1217(32)19(25(27)35)14(2)2810112926(36)30168657916h5912283334H1011H214H3(H2293036)b1914+t27m0s1
O=C(Nc1ccccc1)NCCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253413835
ZINC253413835

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Available files

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