Vitas-M small molecule compound
N-cyclopropyl-1-[6-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
Catalog ID
STL084027
SMILES COc1ccc(cc1NC(=O)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1)C
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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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-13-3-6-17(30-2)16(9-13)25-19(28)11-31-20-10-18(22-12-23-20)27-8-7-15(26-27)21(29)24-14-4-5-14/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,24,29)(H,25,28)InChIKey
RJIXXAXEAYAGCM-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NC(=C2)N3C=CC(=N3)C(=O)NC4CC4
InChI=1SC21H22N6O3Sc1133617(302)16(913)2519(28)1131201018(22122320)278715(2627)21(29)24144514h36101214H4511H212H3(H2429)(H2528)
MFCD18202597
Ncyclopropyl1(6((2((2methoxy5methylphenyl)amino)2oxoethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2(2methoxy5methylanilino)2oxoethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520311
ZINC57520311
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