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)glycinamide
Catalog ID
STL542611
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NCC(=O)/N=c\1/sc2c([nH]1)CCCCC2
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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 C31H36N4O6S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O6S/c1-17(36)33-21-12-10-18-14-25(39-2)29(40-3)30(41-4)28(18)19-11-13-22(24(37)15-20(19)21)32-16-27(38)35-31-34-23-8-6-5-7-9-26(23)42-31/h11,13-15,21H,5-10,12,16H2,1-4H3,(H,32,37)(H,33,36)(H,34,35,38)InChIKey
UYCHLUGLUXEWNE-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(345678hexahydro2Hcyclohepta(d)(13)thiazol2ylidene)glycinamide
110210226
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5678tetrahydro4~(H)cyclohepta(d)(13)thiazol2yl)acetamide
InChI=1SC31H36N4O6Sc117(36)33211210181425(392)29(403)30(414)28(18)19111322(24(37)1520(19)21)321627(38)353134238657926(23)4231h11131521H5101216H214H3(H3237)(H3336)(H343538)
MFCD31755673
ZINC000108450803
ZINC000252552744
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