Vitas-M small molecule compound

2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-[2-(furan-2-yl)ethyl]acetamide

Catalog ID
STL561916
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCc1ccco1)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)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 C33H30ClNO9 MW 620.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClNO9/c1-17-14-23-26(31(37)33(17)32(38)27-22(40-3)16-24(41-4)28(34)30(27)44-33)21(15-25(36)35-12-11-20-6-5-13-42-20)29(43-23)18-7-9-19(39-2)10-8-18/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,35,36)/t17-,33+/m1/s1
InChIKey
SQKDLBRFZVTSJE-JSRFKQPZSA-N
Synonyms

145705270
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2(furan2yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2(furan2yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2(furan2yl)ethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCc1ccco1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC33H30ClNO9c117142326(31(37)33(17)32(38)2722(403)1624(414)28(34)30(27)4433)21(1525(36)3512112065134220)29(4323)187919(392)10818h510131617H11121415H214H3(H3536)t1733+m1s1
MFCD32650974
ZINC001848443450

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.