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]-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide

Catalog ID
STL561619
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1ccncc1

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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 C34H38N2O7 MW 586.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N2O7/c1-22-7-6-10-26(37)9-5-3-4-8-25-19-29(38)32(33(40)31(25)34(41)43-22)28(24-11-13-27(42-2)14-12-24)20-30(39)36-21-23-15-17-35-18-16-23/h4,8,11-19,22,28,38,40H,3,5-7,9-10,20-21H2,1-2H3,(H,36,39)/b8-4+/t22-,28?/m0/s1
InChIKey
CRLYLYKSNFLADZ-SKMYYJBJSA-N
Synonyms

145704976
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(pyridin4ylmethyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N(pyridin4ylmethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(pyridin4ylmethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1ccncc1
InChI=1SC34H38N2O7c122761026(37)95348251929(38)32(33(40)31(25)34(41)4322)28(24111327(422)141224)2030(39)362123151735181623h48111922283840H3579102021H212H3(H3639)b84+t2228?m0s1
MFCD32650684
ZINC001848442635
ZINC001848442636

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Available files

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