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-[2-(1H-imidazol-4-yl)ethyl]propanamide
Catalog ID
STL561496
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1c[nH]cn1
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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 C33H37N3O8 MW 603.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N3O8/c1-20-6-5-9-24(37)8-4-2-3-7-22-14-26(38)31(32(40)30(22)33(41)44-20)25(21-10-11-27-28(15-21)43-19-42-27)16-29(39)35-13-12-23-17-34-18-36-23/h3,7,10-11,14-15,17-18,20,25,38,40H,2,4-6,8-9,12-13,16,19H2,1H3,(H,34,36)(H,35,39)/b7-3+/t20-,25InChIKey
PFGFXEGMJYLQOU-IBJIFLQASA-NSynonyms
145704854
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(1Himidazol4yl)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(1Himidazol5yl)ethyl)propanamide
InChI=1SC33H37N3O8c12065924(37)84237221426(38)31(32(40)30(22)33(41)4420)25(2110112728(1521)43194227)1629(39)351312231734183623h3710111415171820253840H2468912131619H21H3(H3436)(H3539)b73+t2025?m0s1
MFCD32650562
N(2(1Himidazol4yl)ethyl)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)NCCc1c(nH)cn1
ZINC001848442932
ZINC001848442933
Check stock
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