Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-ethylphenyl)acetamide
Catalog ID
STK230388
SMILES CCc1ccccc1NC(=O)Cc1nnc(n1C)SCC(=O)Nc1ccc2c(c1)OCO2
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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/c1-3-14-6-4-5-7-16(14)24-20(28)11-19-25-26-22(27(19)2)32-12-21(29)23-15-8-9-17-18(10-15)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
CNGYUKPRTVHXKB-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2ETHYLPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2ETHYLPHENYL)ACETAMIDE
CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC22H23N5O4Sc1314645716(14)2420(28)1119252622(27(19)2)321221(29)2315891718(1015)31133017h410H31113H212H3(H2329)(H2428)
MFCD07790408
ZINC000009263664
ZINC09263664
ZINC9263664
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