Vitas-M small molecule compound
N-{1-[5-({1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STL122388
SMILES CCc1nnc(s1)NC(=O)C(Sc1nnc(n1C)C(NC(=O)c1ccccc1F)C)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 C19H22FN7O2S2 MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22FN7O2S2/c1-5-14-23-25-18(31-14)22-16(28)11(3)30-19-26-24-15(27(19)4)10(2)21-17(29)12-8-6-7-9-13(12)20/h6-11H,5H2,1-4H3,(H,21,29)(H,22,25,28)InChIKey
DBZJGTBXGSEBIO-UHFFFAOYSA-NSynonyms
CCC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3F
InChI=1SC19H22FN7O2S2c1514232518(3114)2216(28)11(3)3019262415(27(19)4)10(2)2117(29)12867913(12)20h611H5H214H3(H2129)(H222528)
MFCD17011691
N(1(5((1((5ethyl134thiadiazol2yl)amino)1oxopropan2yl)sulfanyl)4methyl4H124triazol3yl)ethyl)2fluorobenzamide
N(1(5(1((5ethyl134thiadiazol2yl)amino)1oxopropan2yl)sulfanyl4methyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000048513915
ZINC000048513924
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