Vitas-M small molecule compound
4-{[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]butanamide
Catalog ID
STL544734
SMILES COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=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 C31H36N4O6S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O6S/c1-17(36)33-21-12-10-18-15-25(39-2)29(40-3)30(41-4)28(18)19-11-13-22(24(37)16-20(19)21)32-14-6-9-27(38)35-31-34-23-7-5-8-26(23)42-31/h11,13,15-16,21H,5-10,12,14H2,1-4H3,(H,32,37)(H,33,36)(H,34,35,38)InChIKey
DSTQZKFMTFHDDW-UHFFFAOYSA-NSynonyms
110209866
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2E)3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dihydro4~(H)cyclopenta(d)(13)thiazol2yl)butanamide
InChI=1SC31H36N4O6Sc117(36)33211210181525(392)29(403)30(414)28(18)19111322(24(37)1620(19)21)32146927(38)3531342375826(23)4231h1113151621H5101214H214H3(H3237)(H3336)(H343538)
MFCD31756107
ZINC000108450520
ZINC000252527929
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