Vitas-M small molecule compound
N-[1-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK218617
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)C(NC(=O)c1ccccc1F)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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-12(23-20(29)14-5-3-4-6-15(14)22)19-25-26-21(27(19)2)32-10-18(28)24-13-7-8-16-17(9-13)31-11-30-16/h3-9,12H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
CPDKTOQARLEVTF-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4F
InChI=1SC21H20FN5O4Sc112(2320(29)14534615(14)22)19252621(27(19)2)321018(28)2413781617(913)31113016h3912H1011H212H3(H2329)(H2428)
MFCD07398842
N(1(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(1(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009263141
ZINC000009263143
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