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-4H-1,2,4-triazol-3-ylmethioninamide
Catalog ID
STL550823
SMILES CSCCC(C(=O)Nc1nnc[nH]1)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 C28H34N6O6S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6O6S/c1-15(35)31-19-8-6-16-12-23(38-2)25(39-3)26(40-4)24(16)17-7-9-20(22(36)13-18(17)19)32-21(10-11-41-5)27(37)33-28-29-14-30-34-28/h7,9,12-14,19,21H,6,8,10-11H2,1-5H3,(H,31,35)(H,32,36)(H2,29,30,33,34,37)InChIKey
RFLJWXVAPIOXEG-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(1H124triazol3yl)butanamide
132286446
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(1~(H)124triazol5yl)butanamide
CSCC(C@@H)(C(=O)Nc1n(nH)cn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC28H34N6O6Sc115(35)311986161223(382)25(393)26(404)24(16)177920(22(36)1318(17)19)3221(1011415)27(37)33282914303428h7912141921H681011H215H3(H3135)(H3236)(H22930333437)
MFCD31757794
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N4H124triazol3ylmethioninamide
ZINC000604405332
ZINC000888090317
Check stock
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Check stock on Vitas-MAvailable files
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