Vitas-M small molecule compound
4-ethyl 2-methyl 3-methyl-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898029
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-5-29-20(26)16-12(2)17(21(27)28-4)30-18(16)22-11-15-13(3)23-24(19(15)25)14-9-7-6-8-10-14/h6-11,22H,5H2,1-4H3/b15-11-InChIKey
BVEXAWBRMLXWMC-PTNGSMBKSA-NSynonyms
4ethyl2methyl3methyl5(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Oethyl2Omethyl3methyl5(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC
InChI=1SC21H21N3O5Sc152920(26)1612(2)17(21(27)284)3018(16)22111513(3)2324(19(15)25)1497681014h61122H5H214H3b1511
MFCD18172789
ZINC000044827037
ZINC44827037
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