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-1,3-benzothiazol-2(3H)-ylideneisoleucinamide
Catalog ID
STL542287
SMILES CCC(C(C(=O)/N=c/1\sc2c([nH]1)cccc2)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C34H38N4O6S MW 630.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O6S/c1-7-18(2)30(33(41)38-34-37-25-10-8-9-11-28(25)45-34)36-24-15-13-21-22(17-26(24)40)23(35-19(3)39)14-12-20-16-27(42-4)31(43-5)32(44-6)29(20)21/h8-11,13,15-18,23,30H,7,12,14H2,1-6H3,(H,35,39)(H,36,40)(H,37,38,41)InChIKey
PTONBVBBUZJWRY-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N13benzothiazol2(3H)ylideneisoleucinamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzothiazol2yl)3methylpentanamide
75531782
InChI=1SC34H38N4O6Sc1718(2)30(33(41)3834372510891128(25)4534)362415132122(1726(24)40)23(3519(3)39)1412201627(424)31(435)32(446)29(20)21h8111315182330H71214H216H3(H3539)(H3640)(H373841)
MFCD31755575
ZINC000206234388
ZINC000253370359
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