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-[1-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL552229
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCN(CC1)C1CCc2c(N=C1O)cccc2
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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 C45H55N3O10 MW 797.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H55N3O10/c1-27-11-10-15-32(49)14-7-5-6-13-29-23-36(50)41(42(52)40(29)45(54)58-27)33(30-24-37(55-2)43(57-4)38(25-30)56-3)26-39(51)46-31-19-21-48(22-20-31)35-18-17-28-12-8-9-16-34(28)47-44(35)53/h6,8-9,12-13,16,23-25,27,31,33,35,50,52H,5,7,10-11InChIKey
QRVJNYZJFLFBLQ-LQVNBUDMSA-NSynonyms
135640501
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(1(2hydroxy45dihydro3H1benzazepin3yl)piperidin4yl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(1(2oxo1345tetrahydro1benzazepin3yl)piperidin4yl)3(345trimethoxyphenyl)propanamide
InChI=1SC45H55N3O10c12711101532(49)1475613292336(50)41(42(52)40(29)45(54)5827)33(302437(552)43(574)38(2530)563)2639(51)4631192148(222031)3518172812891634(28)4744(35)53h6891213162325273133355052H5710111415172226H214H3(H4651)(H4753)b136+t2733?35?m0s1
ZINC001547138721
ZINC001547138726
Check stock
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