Vitas-M small molecule compound
N-[(5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK230455
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)CNC(=O)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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-25-19(10-22-20(27)14-5-8-17-18(9-14)30-12-29-17)23-24-21(25)31-11-16(26)13-3-6-15(28-2)7-4-13/h3-9H,10-12H2,1-2H3,(H,22,27)InChIKey
MFNYBNAJNBSXHF-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5(2(4METHOXYPHENYL)2OXOETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O5Sc12519(102220(27)14581718(914)30122917)232421(25)311116(26)133615(282)7413h39H1012H212H3(H2227)
MFCD07792027
N((5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009263799
ZINC09263799
ZINC9263799
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