Vitas-M small molecule compound
3-methyl-N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK139984
SMILES O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1C)C(NC(=O)c1cccc(c1)C)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 C24H29N5O2S MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O2S/c1-14-8-7-9-19(12-14)23(31)25-18(5)22-27-28-24(29(22)6)32-13-20(30)26-21-16(3)10-15(2)11-17(21)4/h7-12,18H,13H2,1-6H3,(H,25,31)(H,26,30)InChIKey
RBYHIQCFXFEFON-UHFFFAOYSA-NSynonyms
3METHYLN(1(4METHYL5((2OXO2((246TRIMETHYLPHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
3METHYLN(1(4METHYL5(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3C)C)C
InChI=1SC24H29N5O2Sc11487919(1214)23(31)2518(5)22272824(29(22)6)321320(30)262116(3)1015(2)1117(21)4h71218H13H216H3(H2531)(H2630)
MFCD04090938
N(1(5((2(MESITYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)3METHYLBENZAMIDE
ZINC000000687424
ZINC000000687425
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