Vitas-M small molecule compound
(E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene)methioninamide
Catalog ID
STL541540
SMILES CSCCC(C(=O)/N=c\1/sc2c([nH]1)CCCCC2)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 C34H42N4O6S2 MW 666.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N4O6S2/c1-19(39)35-23-13-11-20-17-28(42-2)31(43-3)32(44-4)30(20)21-12-14-24(27(40)18-22(21)23)36-26(15-16-45-5)33(41)38-34-37-25-9-7-6-8-10-29(25)46-34/h12,14,17-18,23,26H,6-11,13,15-16H2,1-5H3,(H,35,39)(H,36,40)(H,37,38,41)InChIKey
GGBDVFVSYLOERI-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)methioninamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(5678tetrahydro4~(H)cyclohepta(d)(13)thiazol2yl)butanamide
75531692
InChI=1SC34H42N4O6S2c119(39)35231311201728(422)31(433)32(444)30(20)21121424(27(40)1822(21)23)3626(1516455)33(41)3834372597681029(25)4634h121417182326H611131516H215H3(H3539)(H3640)(H373841)
MFCD31755375
ZINC000150653447
ZINC000206231460
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