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N~3~-{[(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]acetyl}-N-1,3-thiazol-2-yl-beta-alaninamide

Catalog ID
STL561519
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC(=O)Nc1nccs1)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 C33H30ClN3O9S MW 680.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O9S/c1-16-13-21-25(30(40)33(16)31(41)26-20(43-3)15-22(44-4)27(34)29(26)46-33)19(28(45-21)17-5-7-18(42-2)8-6-17)14-24(39)35-10-9-23(38)37-32-36-11-12-47-32/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,35,39)(H,36,37,38)/t16-,33+/m1/s1
InChIKey
POSDZYFNQLPPFD-KXSVPLAASA-N
Synonyms

145704876
3((2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)acetyl)amino)N(13thiazol2yl)propanamide
3(2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)acetamido)N(thiazol2yl)propanamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC(=O)Nc1nccs1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC33H30ClN3O9Sc116132125(30(40)33(16)31(41)2620(433)1522(444)27(34)29(26)4633)19(28(4521)175718(422)8617)1424(39)3510923(38)37323611124732h5811121516H9101314H214H3(H3539)(H363738)t1633+m1s1
MFCD32650585
N~3~(((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetyl)N13thiazol2ylbetaalaninamide
N3(((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)ACETYL)N13THIAZOL2YLBETAALANINAMIDE
ZINC001848442952

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Available files

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