Vitas-M small molecule compound
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl](phenyl)methyl}-7-(morpholin-4-ylcarbonyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one
Catalog ID
STL349765
SMILES Clc1ccc(cc1)n1nnnc1C(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)N1CCOCC1)c1ccccc1
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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 C27H25ClN6O4 MW 532.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN6O4/c28-18-6-8-19(9-7-18)34-24(29-30-31-34)23(17-4-2-1-3-5-17)33-16-27-11-10-20(38-27)21(22(27)26(33)36)25(35)32-12-14-37-15-13-32/h1-11,20-23H,12-16H2InChIKey
JNPYAGCBKTZUTP-UHFFFAOYSA-NSynonyms
1052615-77-6(3aS6R)2((1(4chlorophenyl)1Htetrazol5yl)(phenyl)methyl)7(morpholine4carbonyl)2377atetrahydro3a6epoxyisoindol1(6H)one
1052615776
2((1(4chlorophenyl)1Htetrazol5yl)(phenyl)methyl)7(morpholin4ylcarbonyl)2377atetrahydro3a6epoxyisoindol1(6H)one
C1COCCN1C(=O)C2C3C=CC4(C2C(=O)N(C4)C(C5=CC=CC=C5)C6=NN=NN6C7=CC=C(C=C7)Cl)O3
InChI=1SC27H25ClN6O4c28186819(9718)3424(29303134)23(174213517)331627111020(3827)21(22(27)26(33)36)25(35)32121437151332h1112023H1216H2
MFCD07641379
ZINC000226932852
ZINC000245240014
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