Vitas-M small molecule compound
N-{3-[4-methyl-5-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}propanamide
Catalog ID
STL352339
SMILES CCC(=O)Nc1cccc(c1)c1nnc(n1C)SCC(=O)NCc1ccc(cc1)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 C22H25N5O2S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2S/c1-4-19(28)24-18-7-5-6-17(12-18)21-25-26-22(27(21)3)30-14-20(29)23-13-16-10-8-15(2)9-11-16/h5-12H,4,13-14H2,1-3H3,(H,23,29)(H,24,28)InChIKey
ZBYNINRXGVWPGZ-UHFFFAOYSA-NSynonyms
500265-66-7500265667
CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC=C(C=C3)C
InChI=1SC22H25N5O2Sc1419(28)241875617(1218)21252622(27(21)3)301420(29)23131610815(2)91116h512H41314H213H3(H2329)(H2428)
MFCD03273359
N(3(4methyl5((2((4methylbenzyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)phenyl)propanamide
N(3(4methyl5((2((4methylbenzyl)amino)2oxoethyl)thio)4H124triazol3yl)phenyl)propionamide
N(3(4METHYL5(2((4METHYLPHENYL)METHYLAMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)PROPANAMIDE
ZINC000005180364
ZINC05180364
ZINC5180364
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