Vitas-M small molecule compound
di-tert-butyl 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821548
SMILES CC1=C(C(=O)OC(C)(C)C)C(C(=C(N1)C)C(=O)OC(C)(C)C)c1cn(nc1c1cccs1)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 C30H35N3O4S MW 533.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O4S/c1-18-23(27(34)36-29(3,4)5)25(24(19(2)31-18)28(35)37-30(6,7)8)21-17-33(20-13-10-9-11-14-20)32-26(21)22-15-12-16-38-22/h9-17,25,31H,1-8H3InChIKey
VQZLYFOJWFKREZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OC(C)(C)C
ditertbutyl26dimethyl4(1phenyl3(thiophen2yl)1Hpyrazol4yl)14dihydropyridine35dicarboxylate
DITERTBUTYL26DIMETHYL4(1PHENYL3THIOPHEN2YLPYRAZOL4YL)14DIHYDROPYRIDINE35DICARBOXYLATE
InChI=1SC30H35N3O4Sc11823(27(34)3629(34)5)25(24(19(2)3118)28(35)3730(67)8)211733(2013109111420)3226(21)221512163822h9172531H18H3
MFCD03088784
ZINC000025581184
ZINC25581184
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