Vitas-M small molecule compound
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK219237
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1CCCCC1
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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 C21H27N5O4S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4S/c1-2-26-18(11-22-20(28)14-8-9-16-17(10-14)30-13-29-16)24-25-21(26)31-12-19(27)23-15-6-4-3-5-7-15/h8-10,15H,2-7,11-13H2,1H3,(H,22,28)(H,23,27)InChIKey
FLWVNTVYUDHBRX-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H27N5O4Sc122618(112220(28)14891617(1014)30132916)242521(26)311219(27)23156435715h81015H271113H21H3(H2228)(H2327)
MFCD07399628
N((5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009302523
ZINC09302523
ZINC9302523
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