Vitas-M small molecule compound
4-chloro-N-{[4-ethyl-5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK246040
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1CNC(=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 C20H19ClN6O4S MW 474.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN6O4S/c1-2-26-17(11-22-19(29)13-6-8-14(21)9-7-13)24-25-20(26)32-12-18(28)23-15-4-3-5-16(10-15)27(30)31/h3-10H,2,11-12H2,1H3,(H,22,29)(H,23,28)InChIKey
SHTRMHWKSOGBMN-UHFFFAOYSA-NSynonyms
4CHLORON((4ETHYL5((2((3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4chloroN((4ethyl5(2(3nitroanilino)2oxoethyl)sulfanyl124triazol3yl)methyl)benzamide
4CHLORON(4ETHYL5((3NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC=C(C=C3)Cl
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1CNC(=O)c1ccc(cc1)Cl
InChI=1SC20H19ClN6O4Sc122617(112219(29)136814(21)9713)242520(26)321218(28)231543516(1015)27(30)31h310H21112H21H3(H2229)(H2328)
MFCD08670923
ZINC000009328715
ZINC09328715
ZINC9328715
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