Vitas-M small molecule compound
N-{[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide
Catalog ID
STK117704
SMILES CCn1c(CNC(=O)c2cccc(c2)[N+](=O)[O-])nnc1SCC(=O)Nc1cccc(c1C)Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21ClN6O4S MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O4S/c1-3-27-18(11-23-20(30)14-6-4-7-15(10-14)28(31)32)25-26-21(27)33-12-19(29)24-17-9-5-8-16(22)13(17)2/h4-10H,3,11-12H2,1-2H3,(H,23,30)(H,24,29)InChIKey
OGRKJAOAIUKCGC-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)C)CNC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCn1c(CNC(=O)c2cccc(c2)(N+)(=O)(O))nnc1SCC(=O)Nc1cccc(c1C)Cl
InChI=1SC21H21ClN6O4Sc132718(112320(30)1464715(1014)28(31)32)252621(27)331219(29)241795816(22)13(17)2h410H31112H212H3(H2330)(H2429)
MFCD04127989
N((5((2((3CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)3NITROBENZAMIDE
N((5(2(3CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)3NITROBENZAMIDE
ZINC000012629362
ZINC12629362
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