Vitas-M small molecule compound
4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoic acid
Catalog ID
STL373162
SMILES COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)O)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 C25H30N2O7 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7/c1-14(28)27-18-9-7-15-12-21(32-2)24(33-3)25(34-4)23(15)16-8-10-19(20(29)13-17(16)18)26-11-5-6-22(30)31/h8,10,12-13,18H,5-7,9,11H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)InChIKey
UWYBANXPZJSFDR-UHFFFAOYSA-NSynonyms
1797181-41-9(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoicacid
1797181419
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoicacid
4((7acetamido123trimethoxy9oxo67dihydro5Hbenzo(a)heptalen10yl)amino)butanoicacid
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)O)OC)OC)OC
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)O)NC(=O)C
InChI=1SC25H30N2O7c114(28)271897151221(322)24(333)25(344)23(15)1681019(20(29)1317(16)18)26115622(30)31h810121318H57911H214H3(H2629)(H2728)(H3031)
MFCD28143051
ZINC000096113676
ZINC000098063931
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