Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-L-methioninamide
Catalog ID
STL549530
SMILES CSCC[C@@H](C(=O)Nc1nnc([nH]1)C(C)C)Nc1ccc2c(cc1=O)[C@H](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 C31H40N6O6S MW 624.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N6O6S/c1-16(2)29-34-31(37-36-29)35-30(40)23(12-13-44-7)33-22-11-9-19-20(15-24(22)39)21(32-17(3)38)10-8-18-14-25(41-4)27(42-5)28(43-6)26(18)19/h9,11,14-16,21,23H,8,10,12-13H2,1-7H3,(H,32,38)(H,33,39)(H2,34,35,36,37,40)/t21-,23-/m0/s1InChIKey
YTWLZXBVJMNCIR-GMAHTHKFSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(5propan2yl1~(H)124triazol3yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5isopropyl1H124triazol3yl)4(methylthio)butanamide
127252879
CSCC(C@@H)(C(=O)Nc1n(nH)c(n1)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H40N6O6Sc116(2)293431(373629)3530(40)23(1213447)33221191920(1524(22)39)21(3217(3)38)108181425(414)27(425)28(436)26(18)19h91114162123H8101213H217H3(H3238)(H3339)(H23435363740)t2123m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5(propan2yl)4H124triazol3yl)Lmethioninamide
ZINC000604406029
ZINC604406029
Check stock
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Check stock on Vitas-MAvailable files
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