Vitas-M small molecule compound
N-{1-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-3-methylbenzamide
Catalog ID
STK140714
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)C)nnc1C(C(C)C)NC(=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 C26H33N5O2S MW 479.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O2S/c1-7-31-24(23(16(2)3)28-25(33)20-10-8-9-17(4)14-20)29-30-26(31)34-15-22(32)27-21-12-11-18(5)13-19(21)6/h8-14,16,23H,7,15H2,1-6H3,(H,27,32)(H,28,33)InChIKey
AYWOQEXCKKOLCU-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)C)C(C(C)C)NC(=O)C3=CC(=CC=C3)C
InChI=1SC26H33N5O2Sc173124(23(16(2)3)2825(33)20108917(4)1420)293026(31)341522(32)2721121118(5)1319(21)6h8141623H715H216H3(H2732)(H2833)
MFCD08676544
N(1(5((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)2METHYLPROPYL)3METHYLBENZAMIDE
N(1(5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)2METHYLPROPYL)3METHYLBENZAMIDE
ZINC000009601254
ZINC000009601255
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