Vitas-M small molecule compound
N-[2-(acetylamino)ethyl]-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]propanamide
Catalog ID
STL551734
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)C)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 C30H31ClN2O10 MW 615.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O10/c1-14-9-18(35)24(28(37)30(14)29(38)25-21(39-3)12-22(40-4)26(31)27(25)43-30)17(11-23(36)33-8-7-32-15(2)34)16-5-6-19-20(10-16)42-13-41-19/h5-6,10,12,14,17,37H,7-9,11,13H2,1-4H3,(H,32,34)(H,33,36)/t14-,17?,30+/m1/s1InChIKey
LGEVTNIIVPNAGJ-OBMUGIPZSA-NSynonyms
~(N)(2acetamidoethyl)3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)propanamide
135640087
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)C)Cl
InChI=1SC30H31ClN2O10c114918(35)24(28(37)30(14)29(38)2521(393)1222(404)26(31)27(25)4330)17(1123(36)33873215(2)34)16561920(1016)42134119h561012141737H791113H214H3(H3234)(H3336)t1417?30+m1s1
N(2(acetylamino)ethyl)3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)propanamide
N(2acetamidoethyl)3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)propanamide
ZINC001547205979
ZINC001547205980
Check stock
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Check stock on Vitas-MAvailable files
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