Vitas-M small molecule compound
N-[1-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK218641
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(NC(=O)c1ccccc1)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-3-27-20(14(2)23-21(29)15-7-5-4-6-8-15)25-26-22(27)32-12-19(28)24-16-9-10-17-18(11-16)31-13-30-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
ZHJQPLLYMXKRNV-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(C)NC(=O)C4=CC=CC=C4
InChI=1SC22H23N5O4Sc132720(14(2)2321(29)157546815)252622(27)321219(28)24169101718(1116)31133017h41114H31213H212H3(H2329)(H2428)
MFCD07398899
N(1(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000009263267
ZINC000009263269
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