Vitas-M small molecule compound
4-chloro-N-[2-(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK245633
SMILES CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-2-26-19(10-11-23-20(29)14-6-8-16(22)9-7-14)24-25-21(26)32-13-18(28)15-4-3-5-17(12-15)27(30)31/h3-9,12H,2,10-11,13H2,1H3,(H,23,29)InChIKey
CHRHVVCBLBIBQC-UHFFFAOYSA-NSynonyms
4CHLORON(2(4ETHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4chloroN(2(4ethyl5(2(3nitrophenyl)2oxoethyl)sulfanyl124triazol3yl)ethyl)benzamide
4CHLORON(2(4ETHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CCNC(=O)C3=CC=C(C=C3)Cl
CCn1c(CCNC(=O)c2ccc(cc2)Cl)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H20ClN5O4Sc122619(10112320(29)146816(22)9714)242521(26)321318(28)1543517(1215)27(30)31h3912H2101113H21H3(H2329)
MFCD08670280
ZINC000009327693
ZINC09327693
ZINC9327693
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