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-{3-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-5-yl}butanamide
Catalog ID
STL550871
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2[nH]nc(n2)CCc2c[nH]c3c2cccc3)NC(=O)C)cc(c1OC)OC
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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 C37H41N7O6 MW 679.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41N7O6/c1-21(45)40-28-14-11-22-18-31(48-2)35(49-3)36(50-4)34(22)25-13-15-29(30(46)19-26(25)28)38-17-7-10-33(47)42-37-41-32(43-44-37)16-12-23-20-39-27-9-6-5-8-24(23)27/h5-6,8-9,13,15,18-20,28,39H,7,10-12,14,16-17H2,1-4H3,(H,38,46)(H,40,45)(H2,InChIKey
VCMXLBNOUKXWMT-UHFFFAOYSA-NSynonyms
(S)N(5(2(1Hindol3yl)ethyl)1H124triazol3yl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
132286377
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(2(1Hindol3yl)ethyl)1H124triazol5yl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2(1~(H)indol3yl)ethyl)1~(H)124triazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n(nH)c(n2)CCc2c(nH)c3c2cccc3)NC(=O)C)cc(c1OC)OC
InChI=1SC37H41N7O6c121(45)40281411221831(482)35(493)36(504)34(22)25131529(30(46)1926(25)28)381771033(47)42374132(434437)161223203927965824(23)27h5689131518202839H71012141617H214H3(H3846)(H4045)(H24142434447)
MFCD31757821
ZINC000604405966
ZINC000888090361
Check stock
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Check stock on Vitas-MAvailable files
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