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-{4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}acetamide
Catalog ID
STL561671
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCCC(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)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 C42H42ClN3O10 MW 784.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H42ClN3O10/c1-22-15-30-35(40(50)42(22)41(51)36-29(53-3)18-31(54-4)37(43)39(36)56-42)27(38(55-30)24-10-12-26(52-2)13-11-24)17-32(47)44-14-6-9-33(48)45-19-23-16-25(21-45)28-7-5-8-34(49)46(28)20-23/h5,7-8,10-13,18,22-23,25H,6,9,14-17,19-21H2,1-4HInChIKey
JVUFIFFGNCIDMP-FKVHTKQZSA-NSynonyms
145705028
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(4oxo4((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCCC(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC42H42ClN3O10c122153035(40(50)42(22)41(51)3629(533)1831(544)37(43)39(36)5642)27(38(5530)24101226(522)131124)1732(47)44146933(48)4519231625(2145)2875834(49)46(28)2023h578101318222325H6914171921H214H3(H4447)t222325+42+m1s1
MFCD32650736
ZINC001848442803
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