Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-({6-[(2-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)acetamide
Catalog ID
STL079871
SMILES O=C(Nc1ccc2c(c1)OCO2)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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c21-15-4-2-1-3-13(15)9-22-18-8-20(24-11-23-18)29-10-19(26)25-14-5-6-16-17(7-14)28-12-27-16/h1-8,11H,9-10,12H2,(H,25,26)(H,22,23,24)InChIKey
VXFWCCVJQHRHOR-UHFFFAOYSA-NSynonyms
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC(=C3)NCC4=CC=CC=C4Cl
InChI=1SC20H17ClN4O3Sc2115421313(15)92218820(24112318)291019(26)2514561617(714)28122716h1811H91012H2(H2526)(H222324)
MFCD18200645
N(13benzodioxol5yl)2((6((2chlorobenzyl)amino)pyrimidin4yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(6((2chlorophenyl)methylamino)pyrimidin4yl)sulfanylacetamide
ZINC000057505629
ZINC57505629
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