Vitas-M small molecule compound
3,4-dimethoxy-N-{[4-methyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK117844
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(n1C)SCC(=O)Nc1sc(c(n1)c1ccccc1)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 C25H26N6O4S2 MW 538.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O4S2/c1-15-22(16-8-6-5-7-9-16)28-24(37-15)27-21(32)14-36-25-30-29-20(31(25)2)13-26-23(33)17-10-11-18(34-3)19(12-17)35-4/h5-12H,13-14H2,1-4H3,(H,26,33)(H,27,28,32)InChIKey
JTFQJFXTZYTSBR-UHFFFAOYSA-NSynonyms
34DIMETHOXYN((4METHYL5((2((5METHYL4PHENYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DIMETHOXYN((4METHYL5(2((5METHYL4PHENYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(N=C(S1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4
InChI=1SC25H26N6O4S2c11522(168657916)2824(3715)2721(32)143625302920(31(25)2)132623(33)17101118(343)19(1217)354h512H1314H214H3(H2633)(H272832)
MFCD04128195
ZINC000002840413
ZINC2840413
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