Vitas-M small molecule compound
butyl 4-{8-[(3,4-dimethoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl}benzoate
Catalog ID
STL054906
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1ccc(c(c1)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 C34H32N2O7 MW 580.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O7/c1-4-5-18-43-34(40)21-10-13-23(14-11-21)36-32(38)27-28(33(36)39)30(31(37)22-12-15-25(41-2)26(19-22)42-3)35-17-16-20-8-6-7-9-24(20)29(27)35/h6-17,19,27-30H,4-5,18H2,1-3H3InChIKey
NQPPMQNFZZCVNB-UHFFFAOYSA-NSynonyms
butyl4((8S8aR11aS)8(34dimethoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
butyl4(8((34dimethoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)OC
CCCCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1ccc(c(c1)OC)OC
InChI=1SC34H32N2O7c145184334(40)21101323(141121)3632(38)2728(33(36)39)30(31(37)22121525(412)26(1922)423)35171620867924(20)29(27)35h617192730H4518H213H3
MFCD05725153
ZINC000101670503
ZINC000245246785
Check stock
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Check stock on Vitas-MAvailable files
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