Vitas-M small molecule compound
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]-N-(pyridin-2-ylmethyl)propanamide
Catalog ID
STL561812
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1ccccn1
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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 C34H36N2O8 MW 600.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N2O8/c1-21-8-7-12-25(37)11-4-2-3-9-23-16-27(38)32(33(40)31(23)34(41)44-21)26(22-13-14-28-29(17-22)43-20-42-28)18-30(39)36-19-24-10-5-6-15-35-24/h3,5-6,9-10,13-17,21,26,38,40H,2,4,7-8,11-12,18-20H2,1H3,(H,36,39)/b9-3+/t21-,26?/m0/s1InChIKey
RUZOVWPHDYNLPQ-NMVJXNJVSA-NSynonyms
145705167
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(pyridin2ylmethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(pyridin2ylmethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(pyridin2ylmethyl)propanamide
InChI=1SC34H36N2O8c121871225(37)114239231627(38)32(33(40)31(23)34(41)4421)26(2213142829(1722)43204228)1830(39)3619241056153524h356910131721263840H247811121820H21H3(H3639)b93+t2126?m0s1
MFCD32650875
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCc1ccccn1
ZINC001848443016
ZINC001848443017
Check stock
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