Vitas-M small molecule compound
N-(2-ethylphenyl)-2-(4-methyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STK337487
SMILES CCc1ccccc1NC(=O)Cc1nnc(n1C)SCC(=O)N1CCC(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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-4-16-7-5-6-8-17(16)22-19(27)13-18-23-24-21(25(18)3)29-14-20(28)26-11-9-15(2)10-12-26/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)InChIKey
XOBWGUFJHFPCNT-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)N3CCC(CC3)C
InChI=1SC21H29N5O2Sc1416756817(16)2219(27)1318232421(25(18)3)291420(28)2611915(2)101226h5815H4914H213H3(H2227)
MFCD09178590
N(2ethylphenyl)2(4methyl5((2(4methylpiperidin1yl)2oxoethyl)sulfanyl)4H124triazol3yl)acetamide
N(2ethylphenyl)2(4methyl5(2(4methylpiperidin1yl)2oxoethyl)sulfanyl124triazol3yl)acetamide
ZINC000010803293
ZINC10803293
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