Vitas-M small molecule compound
N-{[5-({2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK221973
SMILES O=C(Nc1nnc(s1)C1CCCCC1)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C22H27N7O2S2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2S2/c1-14-7-6-10-16(11-14)19(31)23-12-17-25-28-22(29(17)2)32-13-18(30)24-21-27-26-20(33-21)15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3,(H,23,31)(H,24,27,30)InChIKey
WBQSFHBYYRCWMP-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=NN=C(S3)C4CCCCC4
InChI=1SC22H27N7O2S2c114761016(1114)19(31)231217252822(29(17)2)321318(30)2421272620(3321)158435915h67101115H35891213H212H3(H2331)(H242730)
MFCD07401357
N((5((2((5cyclohexyl134thiadiazol2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)3methylbenzamide
N((5(2((5CYCLOHEXYL134THIADIAZOL2YL)AMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N(5((5CYCLOHEXYL(134)THIADIAZOL2YLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009303307
ZINC09303307
ZINC9303307
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