Vitas-M small molecule compound

methyl 4-{[({6-[(2-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)acetyl]amino}benzoate

Catalog ID
STL079877
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1ncnc(c1)NCc1ccccc1Cl

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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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-29-21(28)14-6-8-16(9-7-14)26-19(27)12-30-20-10-18(24-13-25-20)23-11-15-4-2-3-5-17(15)22/h2-10,13H,11-12H2,1H3,(H,26,27)(H,23,24,25)
InChIKey
QHPZVMRDUSYCCC-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)NCC3=CC=CC=C3Cl
InChI=1SC21H19ClN4O3Sc12921(28)146816(9714)2619(27)1230201018(24132520)231115423517(15)22h21013H1112H21H3(H2627)(H232425)
methyl4((((6((2chlorobenzyl)amino)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
methyl4((2(6((2chlorophenyl)methylamino)pyrimidin4yl)sulfanylacetyl)amino)benzoate
MFCD18200651
ZINC000057505654
ZINC57505654

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Available files

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