Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(3-methoxypropyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]butanamide
Catalog ID
STL579271
SMILES COCCCN(C(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C[C@@H]1CCCN2[C@@H]1CCCC2
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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 C39H56N4O7 MW 692.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H56N4O7/c1-26(44)41-31-16-14-27-23-35(48-3)38(49-4)39(50-5)37(27)29-15-17-32(34(45)24-30(29)31)40-18-8-13-36(46)43(21-10-22-47-2)25-28-11-9-20-42-19-7-6-12-33(28)42/h15,17,23-24,28,31,33H,6-14,16,18-22,25H2,1-5H3,(H,40,45)(H,41,44)/t28-,31-,33InChIKey
NKDUFUJIBDLUOM-WJSKADRVSA-NSynonyms
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3methoxypropyl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)butanamide
4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3methoxypropyl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)butanamide
COCCCN(C(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C(C@@H)1CCCN2(C@@H)1CCCC2
MFCD33397600
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