Vitas-M small molecule compound
3-methyl-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK142055
SMILES O=C(Nc1scc(n1)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 C19H22N6O2S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O2S2/c1-11-6-5-7-14(8-11)17(27)21-13(3)16-23-24-19(25(16)4)29-10-15(26)22-18-20-12(2)9-28-18/h5-9,13H,10H2,1-4H3,(H,21,27)(H,20,22,26)InChIKey
YCYLSQWSPQRKMQ-UHFFFAOYSA-NSynonyms
3METHYLN(1(4METHYL5((2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
3METHYLN(1(4METHYL5(2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=NC(=CS3)C
InChI=1SC19H22N6O2S2c11165714(811)17(27)2113(3)16232419(25(16)4)291015(26)22182012(2)92818h5913H10H214H3(H2127)(H202226)
MFCD08675040
ZINC000009601351
ZINC000009601352
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