Vitas-M small molecule compound
N~2~-{3-(1,3-benzodioxol-5-yl)-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]propanoyl}-L-alaninamide
Catalog ID
STL561970
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N[C@H](C(=O)N)C
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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 C31H36N2O9 MW 580.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O9/c1-17-7-6-10-21(34)9-5-3-4-8-20-13-23(35)28(29(37)27(20)31(39)42-17)22(15-26(36)33-18(2)30(32)38)19-11-12-24-25(14-19)41-16-40-24/h4,8,11-14,17-18,22,35,37H,3,5-7,9-10,15-16H2,1-2H3,(H2,32,38)(H,33,36)/b8-4+/t17-,18-,22?/m0/s1InChIKey
XJYNWFATYCJLGJ-BTTQNGQRSA-NSynonyms
145705322
InChI=1SC31H36N2O9c117761021(34)95348201323(35)28(29(37)27(20)31(39)4217)22(1526(36)3318(2)30(32)38)1911122425(1419)41164024h4811141718223537H3579101516H212H3(H23238)(H3336)b84+t171822?m0s1
MFCD32651026
N((2S)1amino1oxopropan2yl)3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanamide
N((S)1amino1oxopropan2yl)3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)propanamide
N~2~(3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanoyl)Lalaninamide
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)N(C@H)(C(=O)N)C
ZINC001848443511
ZINC001848443512
Check stock
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