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)-ylidenevalinamide
Catalog ID
STL541739
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)NC(C(=O)/N=c/1\sc2c([nH]1)cccc2)C(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 C33H36N4O6S MW 616.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N4O6S/c1-17(2)29(32(40)37-33-36-24-9-7-8-10-27(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/h7-10,12,14-17,22,29H,11,13H2,1-6H3,(H,34,38)(H,35,39)(H,36,37,40)InChIKey
BGEIYWVHLGGGJY-UHFFFAOYSA-NSynonyms
(Z)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N13benzothiazol2(3H)ylidenevalinamide
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzothiazol2yl)3methylbutanamide
75357045
InChI=1SC33H36N4O6Sc117(2)29(32(40)373336249781027(24)4433)352314122021(1625(23)39)22(3418(3)38)1311191526(414)30(425)31(436)28(19)20h7101214172229H1113H216H3(H3438)(H3539)(H363740)
MFCD31755425
ZINC000108447838
ZINC000206252491
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