Vitas-M small molecule compound
2-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl}-7-(morpholin-4-ylcarbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one
Catalog ID
STL049370
SMILES Clc1ccc(c(c1)Cl)C(c1nnnn1c1c(C)cccc1C)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)N1CCOCC1
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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 C29H28Cl2N6O4 MW 595.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28Cl2N6O4/c1-16-4-3-5-17(2)24(16)37-26(32-33-34-37)25(19-7-6-18(30)14-20(19)31)36-15-29-9-8-21(41-29)22(23(29)28(36)39)27(38)35-10-12-40-13-11-35/h3-9,14,21-23,25H,10-13,15H2,1-2H3InChIKey
ADJWRFBQDAZQJA-UHFFFAOYSA-NSynonyms
1024447-18-4(3aS6R)2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)7(morpholine4carbonyl)2377atetrahydro3a6epoxyisoindol1(6H)one
1024447184
2((24dichlorophenyl)(1(26dimethylphenyl)1Htetrazol5yl)methyl)7(morpholin4ylcarbonyl)2377atetrahydro3a6epoxyisoindol1(6H)one
CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=C(C=C(C=C3)Cl)Cl)N4CC56C=CC(O5)C(C6C4=O)C(=O)N7CCOCC7
InChI=1SC29H28Cl2N6O4c11643517(2)24(16)3726(32333437)25(197618(30)1420(19)31)3615299821(4129)22(23(29)28(36)39)27(38)35101240131135h3914212325H101315H212H3
MFCD05737029
ZINC000097957175
ZINC000245242127
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