Vitas-M small molecule compound
ethyl 4-({[4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STK212757
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1cc(CCC)nc(n1)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 C22H29N5O2S MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2S/c1-4-6-19-15-20(24-16(3)23-19)26-11-13-27(14-12-26)22(30)25-18-9-7-17(8-10-18)21(28)29-5-2/h7-10,15H,4-6,11-14H2,1-3H3,(H,25,30)InChIKey
SDASFHXLRCDLHR-UHFFFAOYSA-NSynonyms
CCCC1=CC(=NC(=N1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC
ETHYL4(((4(2METHYL6PROPYLPYRIMIDIN4YL)PIPERAZIN1YL)CARBONOTHIOYL)AMINO)BENZOATE
ETHYL4((4(2METHYL6PROPYLPYRIMIDIN4YL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC22H29N5O2Sc146191520(2416(3)2319)26111327(141226)22(30)25189717(81018)21(28)2952h71015H461114H213H3(H2530)
MFCD07021584
ZINC000004708754
ZINC04708754
ZINC4708754
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