Vitas-M small molecule compound
dibenzyl 2,6-dimethyl-4-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821384
SMILES CC(CCOc1ccc(cc1)c1nn(cc1C1C(=C(C)NC(=C1C(=O)OCc1ccccc1)C)C(=O)OCc1ccccc1)c1ccccc1)C
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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 C43H43N3O5 MW 681.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H43N3O5/c1-29(2)24-25-49-36-22-20-34(21-23-36)41-37(26-46(45-41)35-18-12-7-13-19-35)40-38(42(47)50-27-32-14-8-5-9-15-32)30(3)44-31(4)39(40)43(48)51-28-33-16-10-6-11-17-33/h5-23,26,29,40,44H,24-25,27-28H2,1-4H3InChIKey
HSEKOLSVXLODIY-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
dibenzyl26dimethyl4(3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DIBENZYL26DIMETHYL4(3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC43H43N3O5c129(2)24254936222034(212336)4137(2646(4541)3518127131935)4038(42(47)502732148591532)30(3)4431(4)39(40)43(48)51283316106111733h52326294044H24252728H214H3
MFCD03088742
ZINC000150480026
ZINC150480026
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