Vitas-M small molecule compound
N~3~-{3-(1,3-benzodioxol-5-yl)-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]propanoyl}-N-pyridin-2-yl-beta-alaninamide
Catalog ID
STL552091
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCC(=O)Nc1ccccn1)Cl
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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 C34H32ClN3O10 MW 678.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O10/c1-17-12-20(39)28(32(42)34(17)33(43)29-23(44-2)15-24(45-3)30(35)31(29)48-34)19(18-7-8-21-22(13-18)47-16-46-21)14-27(41)37-11-9-26(40)38-25-6-4-5-10-36-25/h4-8,10,13,15,17,19,42H,9,11-12,14,16H2,1-3H3,(H,37,41)(H,36,38,40)/t17-,19?,3InChIKey
ZUCYWLQUAFMPDB-FQAVJONQSA-NSynonyms
135640387
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(3oxo3(pyridin2ylamino)propyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(3oxo3(pyridin2ylamino)propyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCC(=O)Nc1ccccn1)Cl
InChI=1SC34H32ClN3O10c1171220(39)28(32(42)34(17)33(43)2923(442)1524(453)30(35)31(29)4834)19(18782122(1318)47164621)1427(41)3711926(40)3825645103625h48101315171942H911121416H213H3(H3741)(H363840)t1719?34+m1s1
N~3~(3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)propanoyl)Npyridin2ylbetaalaninamide
N3(3(13BENZODIOXOL5YL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)PROPANOYL)NPYRIDIN2YLBETAALANINAMIDE
ZINC001547206434
ZINC001547206438
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