Vitas-M small molecule compound
2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Catalog ID
STL268948
SMILES COc1cc(OC)ccc1NC(=O)CSc1nnc(n1n1cccc1)C1CCCCC1
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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 C22H27N5O3S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S/c1-29-17-10-11-18(19(14-17)30-2)23-20(28)15-31-22-25-24-21(16-8-4-3-5-9-16)27(22)26-12-6-7-13-26/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,23,28)InChIKey
JPVANLGUYREYJU-UHFFFAOYSA-NSynonyms
896310-66-02((5cyclohexyl4(1Hpyrrol1yl)4H124triazol3yl)sulfanyl)N(24dimethoxyphenyl)acetamide
2((5CYCLOHEXYL4(1HPYRROL1YL)4H124TRIAZOL3YL)THIO)N(24DIMETHOXYPHENYL)ACETAMIDE
2((5cyclohexyl4pyrrol1yl124triazol3yl)sulfanyl)N(24dimethoxyphenyl)acetamide
896310660
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4CCCCC4)OC
InChI=1SC22H27N5O3Sc12917101118(19(1417)302)2320(28)153122252421(168435916)27(22)2612671326h67101416H358915H212H3(H2328)
MFCD06748192
ZINC000009738282
ZINC09738282
ZINC9738282
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