Vitas-M small molecule compound
N-[2-(acetylamino)ethyl]-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]propanamide
Catalog ID
STL561839
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)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 C32H38N2O9 MW 594.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O9/c1-19-7-6-10-23(36)9-5-3-4-8-22-15-25(37)30(31(39)29(22)32(40)43-19)24(17-28(38)34-14-13-33-20(2)35)21-11-12-26-27(16-21)42-18-41-26/h4,8,11-12,15-16,19,24,37,39H,3,5-7,9-10,13-14,17-18H2,1-2H3,(H,33,35)(H,34,38)/b8-4+/t19-,24?/m0/s1InChIKey
HNOIFWAIQOCINK-AYTVZHDMSA-NSynonyms
145705193
InChI=1SC32H38N2O9c119761023(36)95348221525(37)30(31(39)29(22)32(40)4319)24(1728(38)3414133320(2)35)2111122627(1621)42184126h481112151619243739H35791013141718H212H3(H3335)(H3438)b84+t1924?m0s1
MFCD32650900
N(2(acetylamino)ethyl)3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanamide
N(2acetamidoethyl)3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanamide
N(2acetamidoethyl)3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)propanamide
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCNC(=O)C
ZINC001848442733
ZINC001848442734
Check stock
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Check stock on Vitas-MAvailable files
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