Vitas-M small molecule compound
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK219236
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2
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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 C20H25N5O4S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O4S/c1-25-17(10-21-19(27)13-7-8-15-16(9-13)29-12-28-15)23-24-20(25)30-11-18(26)22-14-5-3-2-4-6-14/h7-9,14H,2-6,10-12H2,1H3,(H,21,27)(H,22,26)InChIKey
QKVZTJWUSSXPMM-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H25N5O4Sc12517(102119(27)13781516(913)29122815)232420(25)301118(26)22145324614h7914H261012H21H3(H2127)(H2226)
MFCD07399625
N((5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009302522
ZINC09302522
ZINC9302522
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