Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK222116
SMILES C=CCn1c(nnc1c1ccccc1C)SC(C(=O)Nc1ccc2c(c1)OCO2)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-4-11-26-20(17-8-6-5-7-14(17)2)24-25-22(26)30-15(3)21(27)23-16-9-10-18-19(12-16)29-13-28-18/h4-10,12,15H,1,11,13H2,2-3H3,(H,23,27)InChIKey
PFXYFMWKZBLNSE-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC22H22N4O3Sc14112620(17865714(17)2)242522(26)3015(3)21(27)23169101819(1216)29132818h4101215H11113H223H3(H2327)
MFCD07401630
N(13benzodioxol5yl)2((5(2methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)propanamide
N(13BENZODIOXOL5YL)2((5(2METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)PROPANAMIDE
ZINC000009303786
ZINC000009303789
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