Vitas-M small molecule compound
2-methoxy-N-{[4-methyl-5-({1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK230552
SMILES COc1ccccc1C(=O)NCc1nnc(n1C)SC(C(=O)Nc1scc(n1)C)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 C19H22N6O3S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O3S2/c1-11-10-29-18(21-11)22-16(26)12(2)30-19-24-23-15(25(19)3)9-20-17(27)13-7-5-6-8-14(13)28-4/h5-8,10,12H,9H2,1-4H3,(H,20,27)(H,21,22,26)InChIKey
XTCOAYRPUVTLNH-UHFFFAOYSA-NSynonyms
2METHOXYN((4METHYL5((1((4METHYL13THIAZOL2YL)AMINO)1OXOPROPAN2YL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2METHOXYN((4METHYL5(1((4METHYL13THIAZOL2YL)AMINO)1OXOPROPAN2YL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CSC(=N1)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3OC
InChI=1SC19H22N6O3S2c111102918(2111)2216(26)12(2)3019242315(25(19)3)92017(27)13756814(13)284h581012H9H214H3(H2027)(H212226)
MFCD07791529
ZINC000009264093
ZINC000009264094
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