Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Catalog ID
STK231064
SMILES CCOc1ccccc1NC(=O)CSc1nnc(n1CC=C)c1ccc2c(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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-3-11-26-21(15-9-10-18-19(12-15)30-14-29-18)24-25-22(26)31-13-20(27)23-16-7-5-6-8-17(16)28-4-2/h3,5-10,12H,1,4,11,13-14H2,2H3,(H,23,27)InChIKey
SULXMPCDQANJIM-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2ethoxyphenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2ETHOXYPHENYL)ACETAMIDE
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O4Sc13112621(159101819(1215)30142918)242522(26)311320(27)2316756817(16)2842h351012H14111314H22H3(H2327)
MFCD07791856
ZINC000009290063
ZINC09290063
ZINC9290063
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