Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK246269
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC(C)C)c2ccco2)sc2c1CCCC2
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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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-13(2)11-26-19(16-7-5-9-28-16)24-25-21(26)29-12-18(27)23-20-15(10-22)14-6-3-4-8-17(14)30-20/h5,7,9,13H,3-4,6,8,11-12H2,1-2H3,(H,23,27)InChIKey
BMDQPMDXKGVIIP-UHFFFAOYSA-NSynonyms
CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CO4
InChI=1SC21H23N5O2S2c113(2)112619(167592816)242521(26)291218(27)232015(1022)14634817(14)3020h57913H34681112H212H3(H2327)
MFCD08683916
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(furan2yl)4(2methylpropyl)124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(furan2yl)4(2methylpropyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000009329085
ZINC09329085
ZINC9329085
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