Vitas-M small molecule compound
3-chloro-N-{[5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140119
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)CNC(=O)c1cccc(c1)Cl)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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-13-7-8-17(30-3)16(9-13)24-19(28)12-31-21-26-25-18(27(21)2)11-23-20(29)14-5-4-6-15(22)10-14/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
ZJKPBQDJKJCHPY-UHFFFAOYSA-NSynonyms
3CHLORON((5((2((2METHOXY5METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3CHLORON((5((2(2METHOXY5METHYLANILINO)2OXOETHYL)THIO)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3CHLORON((5(2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)Cl
InChI=1SC21H22ClN5O3Sc1137817(303)16(913)2419(28)123121262518(27(21)2)112320(29)1454615(22)1014h410H1112H213H3(H2329)(H2428)
MFCD04152818
ZINC000000642306
ZINC00642306
ZINC642306
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