Vitas-M small molecule compound
N-{[5-({2-[(4-iodo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Catalog ID
STK115682
SMILES COc1ccc(cc1OC)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C)I
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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 C22H24IN5O4S MW 581.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24IN5O4S/c1-13-9-15(23)6-7-16(13)25-20(29)12-33-22-27-26-19(28(22)2)11-24-21(30)14-5-8-17(31-3)18(10-14)32-4/h5-10H,11-12H2,1-4H3,(H,24,30)(H,25,29)InChIKey
JJFLHBKHAOHQLE-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)OC)OC
InChI=1SC22H24IN5O4Sc113915(23)6716(13)2520(29)123322272619(28(22)2)112421(30)145817(313)18(1014)324h510H1112H214H3(H2430)(H2529)
MFCD04128652
N((5((2((4IODO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((5(2(4IODO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
ZINC000059595604
ZINC59595604
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