Vitas-M small molecule compound
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-{[4-ethyl-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK454643
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)c2ccoc2C)sc2c1CCCCC2
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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/c1-3-26-19(14-9-10-28-13(14)2)24-25-21(26)29-12-18(27)23-20-16(11-22)15-7-5-4-6-8-17(15)30-20/h9-10H,3-8,12H2,1-2H3,(H,23,27)InChIKey
JLTNQUURFAMJIZ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C4=C(OC=C4)C
InChI=1SC21H23N5O2S2c132619(149102813(14)2)242521(26)291218(27)232016(1122)157546817(15)3020h910H3812H212H3(H2327)
MFCD04227578
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((4ethyl5(2methylfuran3yl)124triazol3yl)sulfanyl)acetamide
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2((4ethyl5(2methylfuran3yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000009827059
ZINC09827059
ZINC9827059
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