Vitas-M small molecule compound
N-[2-(5-{[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Catalog ID
STK221965
SMILES O=C(C(Sc1nnc(n1C)CCNC(=O)c1ccccc1F)C)Nc1ccc2c(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 C22H22FN5O4S MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O4S/c1-13(20(29)25-14-7-8-17-18(11-14)32-12-31-17)33-22-27-26-19(28(22)2)9-10-24-21(30)15-5-3-4-6-16(15)23/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
QWSIUMZEGGIAMZ-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)CCNC(=O)C4=CC=CC=C4F
InChI=1SC22H22FN5O4Sc113(20(29)2514781718(1114)32123117)3322272619(28(22)2)9102421(30)15534616(15)23h381113H91012H212H3(H2430)(H2529)
MFCD07401341
N(2(5((1(13benzodioxol5ylamino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)ethyl)2fluorobenzamide
N(2(5(1(13BENZODIOXOL5YLAMINO)1OXOPROPAN2YL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(1(BENZO(13)DIOXOL5YLCARBAMOYL)ETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009303225
ZINC000009303228
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