Vitas-M small molecule compound
2-({6-[(2-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL079872
SMILES O=C(Nc1ccc2c(c1)OCCO2)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/c22-16-4-2-1-3-14(16)11-23-19-10-21(25-13-24-19)30-12-20(27)26-15-5-6-17-18(9-15)29-8-7-28-17/h1-6,9-10,13H,7-8,11-12H2,(H,26,27)(H,23,24,25)InChIKey
WBRABWIQRGYNPM-UHFFFAOYSA-NSynonyms
2((6((2chlorobenzyl)amino)pyrimidin4yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2(6((2chlorophenyl)methylamino)pyrimidin4yl)sulfanylN(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC(=C3)NCC4=CC=CC=C4Cl
InChI=1SC21H19ClN4O3Sc2216421314(16)1123191021(25132419)301220(27)2615561718(915)29872817h1691013H781112H2(H2627)(H232425)
MFCD18200646
ZINC000057505631
ZINC57505631
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