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-[(4-hydroxyquinazolin-2-yl)methyl]piperidin-4-yl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL552215
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)Cc1nc(O)c2c(n1)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 C44H52N4O10 MW 796.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H52N4O10/c1-26-11-10-14-30(49)13-7-5-6-12-27-21-34(50)40(41(52)39(27)44(54)58-26)32(28-22-35(55-2)42(57-4)36(23-28)56-3)24-38(51)45-29-17-19-48(20-18-29)25-37-46-33-16-9-8-15-31(33)43(53)47-37/h6,8-9,12,15-16,21-23,26,29,32,50,52H,5,7,10-11,13InChIKey
KVFYMDYUQWPVOQ-DLYSXNARSA-NSynonyms
135640488
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(1((4hydroxyquinazolin2yl)methyl)piperidin4yl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(1((4oxo3~(H)quinazolin2yl)methyl)piperidin4yl)3(345trimethoxyphenyl)propanamide
InChI=1SC44H52N4O10c12611101430(49)1375612272134(50)40(41(52)39(27)44(54)5826)32(282235(552)42(574)36(2328)563)2438(51)4529171948(201829)2537463316981531(33)43(53)4737h68912151621232629325052H571011131417202425H214H3(H4551)(H464753)b126+t2632?m0s1
ZINC001547139171
ZINC001547139174
Check stock
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