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-isoleucinamide
Catalog ID
STL561831
SMILES CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)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 C34H42N2O9 MW 622.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N2O9/c1-4-19(2)31(33(35)41)36-28(39)17-24(21-13-14-26-27(16-21)44-18-43-26)30-25(38)15-22-10-6-5-7-11-23(37)12-8-9-20(3)45-34(42)29(22)32(30)40/h6,10,13-16,19-20,24,31,38,40H,4-5,7-9,11-12,17-18H2,1-3H3,(H2,35,41)(H,36,39)/b10-6+/t19-,20-,2InChIKey
NPRFELSLVFKLOG-IYOCFQMJSA-NSynonyms
(2S3S)2((3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)propanoyl)amino)3methylpentanamide
(2S3S)2(3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)propanamido)3methylpentanamide
145705186
CC(C@@H)((C@@H)(C(=O)N)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2)C
InChI=1SC34H42N2O9c1419(2)31(33(35)41)3628(39)1724(2113142627(1621)44184326)3025(38)1522106571123(37)128920(3)4534(42)29(22)32(30)40h6101316192024313840H457911121718H213H3(H23541)(H3639)b106+t192024?31m0s1
MFCD32650892
N~2~(3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)propanoyl)Lisoleucinamide
ZINC001848442892
ZINC001848442893
Check stock
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