Vitas-M small molecule compound
N-[(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzamide
Catalog ID
STK218668
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-2-27-18(10-23-20(29)13-3-5-14(22)6-4-13)25-26-21(27)32-11-19(28)24-15-7-8-16-17(9-15)31-12-30-16/h3-9H,2,10-12H2,1H3,(H,23,29)(H,24,28)InChIKey
SWNJVSHLOSBNCK-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H20ClN5O4Sc122718(102320(29)133514(22)6413)252621(27)321119(28)2415781617(915)31123016h39H21012H21H3(H2329)(H2428)
MFCD07399057
N((5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)4CHLOROBENZAMIDE
N((5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)4CHLOROBENZAMIDE
N(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)4CHLOROBENZAMIDE
ZINC000009263449
ZINC09263449
ZINC9263449
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