Vitas-M small molecule compound
N-cyclopropyl-1-{6-[(2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}-1H-pyrazole-3-carboxamide
Catalog ID
STL083963
SMILES O=C(Nc1ccc(cc1)N(C)C)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1
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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 C21H23N7O2S MW 437.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O2S/c1-27(2)16-7-5-14(6-8-16)24-19(29)12-31-20-11-18(22-13-23-20)28-10-9-17(26-28)21(30)25-15-3-4-15/h5-11,13,15H,3-4,12H2,1-2H3,(H,24,29)(H,25,30)InChIKey
NPEXWQLVFGHOSU-UHFFFAOYSA-NSynonyms
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3C=CC(=N3)C(=O)NC4CC4
InChI=1SC21H23N7O2Sc127(2)167514(6816)2419(29)1231201118(22132320)2810917(2628)21(30)25153415h5111315H3412H212H3(H2429)(H2530)
MFCD18202533
Ncyclopropyl1(6((2((4(dimethylamino)phenyl)amino)2oxoethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2(4(dimethylamino)anilino)2oxoethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520093
ZINC57520093
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