Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Catalog ID
STK230969
SMILES COc1ccccc1c1nnc(n1CC)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-25-19(15-7-5-6-8-16(15)27-3)23-24-21(25)30-13(2)20(26)22-14-9-10-17-18(11-14)29-12-28-17/h5-11,13H,4,12H2,1-3H3,(H,22,26)InChIKey
RYVZTONXVQZGFL-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC
InChI=1SC21H22N4O4Sc142519(15756816(15)273)232421(25)3013(2)20(26)22149101718(1114)29122817h51113H412H213H3(H2226)
MFCD04933865
N(13BENZODIOXOL5YL)2((4ETHYL5(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)PROPANAMIDE
N(13benzodioxol5yl)2((4ethyl5(2methoxyphenyl)4H124triazol3yl)sulfanyl)propanamide
ZINC000003401275
ZINC000003401279
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