Vitas-M small molecule compound
N-[(5-{[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Catalog ID
STK297409
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SC(C(=O)NC1CCCCC1)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 C21H29N5O3S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3S/c1-14(19(27)23-16-7-5-4-6-8-16)30-21-25-24-18(26(21)2)13-22-20(28)15-9-11-17(29-3)12-10-15/h9-12,14,16H,4-8,13H2,1-3H3,(H,22,28)(H,23,27)InChIKey
AUXYIQCVSORMCD-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1CCCCC1)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H29N5O3Sc114(19(27)23167546816)3021252418(26(21)2)132220(28)1591117(293)121015h9121416H4813H213H3(H2228)(H2327)
MFCD09960980
N((5((1(cyclohexylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)methyl)4methoxybenzamide
N((5(1(cyclohexylamino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)methyl)4methoxybenzamide
N(5(1CYCLOHEXYLCARBAMOYLETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)4METHOXYBENZAMIDE
ZINC000013956402
ZINC000013956404
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