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-cyclobutyl-1H-1,2,4-triazol-5-yl)methioninamide

Catalog ID
STL550207
SMILES CSCCC(C(=O)Nc1[nH]nc(n1)C1CCC1)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 C32H40N6O6S MW 636.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N6O6S/c1-17(39)33-22-11-9-19-15-26(42-2)28(43-3)29(44-4)27(19)20-10-12-23(25(40)16-21(20)22)34-24(13-14-45-5)31(41)36-32-35-30(37-38-32)18-7-6-8-18/h10,12,15-16,18,22,24H,6-9,11,13-14H2,1-5H3,(H,33,39)(H,34,40)(H2,35,36,37,38,41)
InChIKey
QVQAYPJYTRFVNI-UHFFFAOYSA-N
Synonyms

(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5cyclobutyl1H124triazol3yl)4(methylthio)butanamide
132286279
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5cyclobutyl1~(H)124triazol3yl)4methylsulfanylbutanamide
CSCC(C@@H)(C(=O)Nc1n(nH)c(n1)C1CCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC32H40N6O6Sc117(39)3322119191526(422)28(433)29(444)27(19)20101223(25(40)1621(20)22)3424(1314455)31(41)36323530(373832)1876818h10121516182224H69111314H215H3(H3339)(H3440)(H23536373841)
MFCD31757455
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3cyclobutyl1H124triazol5yl)methioninamide
ZINC000524732234
ZINC000888089956

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.