Vitas-M small molecule compound
6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(2E)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]hexanamide
Catalog ID
STL543195
SMILES COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)/N=c/1\[nH]c2c(s1)CCC2)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 C33H40N4O6S MW 620.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O6S/c1-19(38)35-23-14-12-20-17-27(41-2)31(42-3)32(43-4)30(20)21-13-15-24(26(39)18-22(21)23)34-16-7-5-6-11-29(40)37-33-36-25-9-8-10-28(25)44-33/h13,15,17-18,23H,5-12,14,16H2,1-4H3,(H,34,39)(H,35,38)(H,36,37,40)InChIKey
NIYIYLBOTBYWCY-UHFFFAOYSA-NSynonyms
110209741
6((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)hexanamide
6((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dihydro4~(H)cyclopenta(d)(13)thiazol2yl)hexanamide
InChI=1SC33H40N4O6Sc119(38)35231412201727(412)31(423)32(434)30(20)21131524(26(39)1822(21)23)34167561129(40)37333625981028(25)4433h1315171823H5121416H214H3(H3439)(H3538)(H363740)
MFCD31755798
ZINC000108448415
ZINC000252538920
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