Vitas-M small molecule compound
methyl 4-[({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL348363
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1ncnc2c1cnn2c1ccc(cc1)Cl
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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 C21H16ClN5O3S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O3S/c1-30-21(29)13-2-6-15(7-3-13)26-18(28)11-31-20-17-10-25-27(19(17)23-12-24-20)16-8-4-14(22)5-9-16/h2-10,12H,11H2,1H3,(H,26,28)InChIKey
BLDNWYYAPLYJJT-UHFFFAOYSA-NSynonyms
862126-70-3862126703
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl
InChI=1SC21H16ClN5O3Sc13021(29)132615(7313)2618(28)11312017102527(19(17)23122420)168414(22)5916h21012H11H21H3(H2628)
methyl4((((1(4chlorophenyl)1Hpyrazolo(34d)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2(1(4CHLOROPHENYL)PYRAZOLO(34D)PYRIMIDIN4YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2((1(4CHLOROPHENYL)1HPYRAZOLO(34D)PYRIMIDIN4YL)THIO)ACETAMIDO)BENZOATE
MFCD04014959
ZINC000009498755
ZINC09498755
ZINC9498755
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