Vitas-M small molecule compound
3-methyl-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK117716
SMILES CSc1cccc(c1)NC(=O)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-14-6-4-7-15(10-14)20(28)22-12-18-24-25-21(26(18)2)30-13-19(27)23-16-8-5-9-17(11-16)29-3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,23,27)InChIKey
NVMOBXYTPRCWNC-UHFFFAOYSA-NSynonyms
3METHYLN((4METHYL5((2((3(METHYLSULFANYL)PHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((4METHYL5(2(3METHYLSULFANYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)SC
InChI=1SC21H23N5O2S2c11464715(1014)20(28)221218242521(26(18)2)301319(27)231685917(1116)293h411H1213H213H3(H2228)(H2327)
MFCD04128012
ZINC000009305131
ZINC09305131
ZINC9305131
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