Vitas-M small molecule compound
N-cyclopropyl-1-[6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
Catalog ID
STL083992
SMILES O=C(Nc1ccc(cc1C)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 C21H22N6O2S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2S/c1-13-3-6-16(14(2)9-13)25-19(28)11-30-20-10-18(22-12-23-20)27-8-7-17(26-27)21(29)24-15-4-5-15/h3,6-10,12,15H,4-5,11H2,1-2H3,(H,24,29)(H,25,28)InChIKey
MGTBPLBSBIKEAS-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3C=CC(=N3)C(=O)NC4CC4)C
InChI=1SC21H22N6O2Sc1133616(14(2)913)2519(28)1130201018(22122320)278717(2627)21(29)24154515h36101215H4511H212H3(H2429)(H2528)
MFCD18202562
Ncyclopropyl1(6((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)pyrimidin4yl)1Hpyrazole3carboxamide
Ncyclopropyl1(6(2(24dimethylanilino)2oxoethyl)sulfanylpyrimidin4yl)pyrazole3carboxamide
ZINC000057520196
ZINC57520196
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