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-methoxy-5-methylphenyl)acetamide
Catalog ID
STK231068
SMILES C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1c1ccc2c(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/c1-4-9-26-21(15-6-8-18-19(11-15)30-13-29-18)24-25-22(26)31-12-20(27)23-16-10-14(2)5-7-17(16)28-3/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,27)InChIKey
ZERSFQSKLPHTED-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2methoxy5methylphenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2METHOXY5METHYLPHENYL)ACETAMIDE
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O4Sc1492621(15681819(1115)30132918)242522(26)311220(27)23161014(2)5717(16)283h481011H191213H223H3(H2327)
MFCD07791860
ZINC000009290067
ZINC09290067
ZINC9290067
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