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-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene)isoleucinamide
Catalog ID
STL543862
SMILES CCC(C(C(=O)/N=c/1\[nH]c2c(s1)CCC2)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 C33H40N4O6S MW 620.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O6S/c1-7-17(2)29(32(40)37-33-36-24-9-8-10-27(24)44-33)35-23-14-12-20-21(16-25(23)39)22(34-18(3)38)13-11-19-15-26(41-4)30(42-5)31(43-6)28(19)20/h12,14-17,22,29H,7-11,13H2,1-6H3,(H,34,38)(H,35,39)(H,36,37,40)InChIKey
QSKRLVCLNKYCFT-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)isoleucinamide
135639681
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dihydro4~(H)cyclopenta(d)(13)thiazol2yl)3methylpentanamide
InChI=1SC33H40N4O6Sc1717(2)29(32(40)37333624981027(24)4433)352314122021(1625(23)39)22(3418(3)38)1311191526(414)30(425)31(436)28(19)20h1214172229H71113H216H3(H3438)(H3539)(H363740)
MFCD31755930
ZINC001075947824
ZINC001772492655
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