Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}methioninamide
Catalog ID
STL551283
SMILES CSCCC(C(=O)Nc1[nH]nc(n1)CCc1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C38H46N6O8S MW 746.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N6O8S/c1-21(45)39-26-12-10-23-19-32(50-4)35(51-5)36(52-6)34(23)24-11-13-27(29(46)20-25(24)26)40-28(16-17-53-7)37(47)42-38-41-33(43-44-38)15-9-22-8-14-30(48-2)31(18-22)49-3/h8,11,13-14,18-20,26,28H,9-10,12,15-17H2,1-7H3,(H,39,45)(H,40,46)(H2InChIKey
NGOFDYKRKVTNMQ-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(34dimethoxyphenethyl)1H124triazol3yl)4(methylthio)butanamide
132285892
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2(34dimethoxyphenyl)ethyl)1~(H)124triazol3yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1n(nH)c(n1)CCc1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N6O8Sc121(45)39261210231932(504)35(515)36(526)34(23)24111327(29(46)2025(24)26)4028(1617537)37(47)42384133(434438)1592281430(482)31(1822)493h811131418202628H910121517H217H3(H3945)(H4046)(H24142434447)
MFCD31758047
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2(34dimethoxyphenyl)ethyl)1H124triazol5yl)methioninamide
ZINC000604406348
ZINC000888089180
Check stock
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Check stock on Vitas-MAvailable files
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