Vitas-M small molecule compound
N-{[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK118153
SMILES COc1cccc(c1)NC(=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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-26-18(10-22-20(28)13-6-7-16-17(8-13)31-12-30-16)24-25-21(26)32-11-19(27)23-14-4-3-5-15(9-14)29-2/h3-9H,10-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
NEGDVWHBFZXXMK-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21N5O5Sc12618(102220(28)13671617(813)31123016)242521(26)321119(27)231443515(914)292h39H1012H212H3(H2228)(H2327)
MFCD04090995
N((5((2((3METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5((2(3METHOXYANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(3METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000000687515
ZINC00687515
ZINC687515
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