Vitas-M small molecule compound
N-cyclopropyl-1-[6-({2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
Catalog ID
STL084007
SMILES COc1cc(ccc1OC)NC(=O)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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-30-16-6-5-14(9-17(16)31-2)24-19(28)11-32-20-10-18(22-12-23-20)27-8-7-15(26-27)21(29)25-13-3-4-13/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,28)(H,25,29)InChIKey
YVWORQZSZBSDJQ-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3C=CC(=N3)C(=O)NC4CC4)OC
InChI=1SC21H22N6O4Sc130166514(917(16)312)2419(28)1132201018(22122320)278715(2627)21(29)25133413h5101213H3411H212H3(H2428)(H2529)
MFCD18202577
Ncyclopropyl1(6((2((34dimethoxyphenyl)amino)2oxoethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2(34dimethoxyanilino)2oxoethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520247
ZINC57520247
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