Vitas-M small molecule compound
(Z)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(pyridin-2-yl)-1,3-thiazol-2(3H)-ylidene]methioninamide
Catalog ID
STL544817
SMILES CSCCC(C(=O)/N=c/1\scc([nH]1)c1ccccn1)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 C34H37N5O6S2 MW 675.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N5O6S2/c1-19(40)36-23-11-9-20-16-29(43-2)31(44-3)32(45-4)30(20)21-10-12-25(28(41)17-22(21)23)37-26(13-15-46-5)33(42)39-34-38-27(18-47-34)24-8-6-7-14-35-24/h6-8,10,12,14,16-18,23,26H,9,11,13,15H2,1-5H3,(H,36,40)(H,37,41)(H,38,39,42)InChIKey
NDYSFMLAEUAHDA-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(pyridin2yl)13thiazol2(3H)ylidene)methioninamide
110210322
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(4pyridin2yl13thiazol2yl)butanamide
InChI=1SC34H37N5O6S2c119(40)3623119201629(432)31(443)32(454)30(20)21101225(28(41)1722(21)23)3726(1315465)33(42)39343827(184734)24867143524h6810121416182326H9111315H215H3(H3640)(H3741)(H383942)
MFCD31756124
ZINC000150652994
ZINC000252538693
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