Vitas-M small molecule compound
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]-N-(2,2-dimethoxyethyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561876
SMILES COC(CNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC)OC
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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 C32H38ClNO12 MW 664.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38ClNO12/c1-15-9-18(35)25(30(37)32(15)31(38)26-19(39-2)13-20(40-3)27(33)29(26)46-32)17(12-23(36)34-14-24(43-6)44-7)16-10-21(41-4)28(45-8)22(11-16)42-5/h10-11,13,15,17,24,37H,9,12,14H2,1-8H3,(H,34,36)/t15-,17?,32+/m1/s1InChIKey
NZZJGZKQKLDOOA-YEKWAPORSA-NSynonyms
145705230
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(22dimethoxyethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(22dimethoxyethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(22dimethoxyethyl)3(345trimethoxyphenyl)propanamide
COC(CNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1cc(OC)c(c(c1)OC)OC)OC
InChI=1SC32H38ClNO12c115918(35)25(30(37)32(15)31(38)2619(392)1320(403)27(33)29(26)4632)17(1223(36)341424(436)447)161021(414)28(458)22(1116)425h10111315172437H91214H218H3(H3436)t1517?32+m1s1
MFCD32650936
ZINC001848442902
ZINC001848442903
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.