Vitas-M small molecule compound

3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551615
SMILES OCCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)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 C33H43NO10 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43NO10/c1-20-10-8-13-23(36)12-7-5-6-11-21-16-25(37)30(31(39)29(21)33(40)44-20)24(19-28(38)34-14-9-15-35)22-17-26(41-2)32(43-4)27(18-22)42-3/h6,11,16-18,20,24,35,37,39H,5,7-10,12-15,19H2,1-4H3,(H,34,38)/b11-6+/t20-,24?/m0/s1
InChIKey
MGQJBZJVTRUARG-ZCKRTBHQSA-N
Synonyms

135639985
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3hydroxypropyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3hydroxypropyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3hydroxypropyl)3(345trimethoxyphenyl)propanamide
InChI=1SC33H43NO10c1201081323(36)1275611211625(37)30(31(39)29(21)33(40)4420)24(1928(38)341491535)221726(412)32(434)27(1822)423h61116182024353739H5710121519H214H3(H3438)b116+t2024?m0s1
OCCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
ZINC001547138473
ZINC001547138476

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.