Vitas-M small molecule compound
N-{1-[4-ethyl-5-({2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-methylbenzamide
Catalog ID
STK132773
SMILES CCc1cccc(c1NC(=O)CSc1nnc(n1CC)C(NC(=O)c1ccccc1C)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 C25H31N5O2S MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2S/c1-6-19-13-10-12-17(4)22(19)27-21(31)15-33-25-29-28-23(30(25)7-2)18(5)26-24(32)20-14-9-8-11-16(20)3/h8-14,18H,6-7,15H2,1-5H3,(H,26,32)(H,27,31)InChIKey
HQVUDSFZOKVJBO-UHFFFAOYSA-NSynonyms
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C(C)NC(=O)C3=CC=CC=C3C)C
InChI=1SC25H31N5O2Sc161913101217(4)22(19)2721(31)153325292823(30(25)72)18(5)2624(32)2014981116(20)3h81418H6715H215H3(H2632)(H2731)
MFCD08671406
N(1(4ETHYL5((2((2ETHYL6METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
N(1(4ETHYL5(2(2ETHYL6METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)2METHYLBENZAMIDE
ZINC000009850471
ZINC000009850472
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