Vitas-M small molecule compound
4-chloro-N-({4-methyl-5-[(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK115223
SMILES O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl
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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 C22H24ClN5O2S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN5O2S/c1-14(2)15-6-10-18(11-7-15)25-20(29)13-31-22-27-26-19(28(22)3)12-24-21(30)16-4-8-17(23)9-5-16/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,25,29)InChIKey
GCBOTTVAZCTURF-UHFFFAOYSA-NSynonyms
4CHLORON((4METHYL5((2OXO2((4(PROPAN2YL)PHENYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4METHYL5(2OXO2(4PROPAN2YLANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((5((2(4ISOPROPYLANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC22H24ClN5O2Sc114(2)1561018(11715)2520(29)133122272619(28(22)3)122421(30)164817(23)9516h41114H1213H213H3(H2430)(H2529)
MFCD04090974
ZINC000000687476
ZINC00687476
ZINC687476
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