Vitas-M small molecule compound
1-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene]-3-phenylthiourea
Catalog ID
STK207094
SMILES S=C(/N=C(/Nc1nc(C)cc(n1)C)\NCCCN1CCCC1=O)Nc1ccccc1
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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 C21H27N7OS MW 425.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7OS/c1-15-14-16(2)24-20(23-15)26-19(22-11-7-13-28-12-6-10-18(28)29)27-21(30)25-17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H3,22,23,24,25,26,27,30)InChIKey
LYUFFUSNOVIYLF-UHFFFAOYSA-NSynonyms
1((E)((46dimethylpyrimidin2yl)amino)((3(2oxopyrrolidin1yl)propyl)amino)methylidene)3phenylthiourea
1(3(((1E)1((46DIMETHYLPYRIMIDIN2YL)AMINO)3(PHENYLAMINO)3THIOXO2AZAPROP1ENYL)AMINO)PROPYL)PYRROLIDIN2ONE
1(N(46DIMETHYLPYRIMIDIN2YL)N(3(2OXOPYRROLIDIN1YL)PROPYL)CARBAMIMIDOYL)3PHENYLTHIOUREA
CC1=CC(=NC(=N1)NC(=NCCCN2CCCC2=O)NC(=S)NC3=CC=CC=C3)C
InChI=1SC21H27N7OSc1151416(2)2420(2315)2619(2211713281261018(28)29)2721(30)25178435917h358914H671013H212H3(H322232425262730)
MFCD06754546
S=C(N=C(Nc1nc(C)cc(n1)C)NCCCN1CCCC1=O)Nc1ccccc1
ZINC000004741347
ZINC04741347
ZINC4741347
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