Vitas-M small molecule compound
N-1,3-benzothiazol-2-yl-N~3~-{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]-3-(4-methoxyphenyl)propanoyl}-beta-alaninamide
Catalog ID
STL561748
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1nc2c(s1)cccc2
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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 C38H41N3O8S MW 699.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H41N3O8S/c1-23-9-8-12-26(42)11-5-3-4-10-25-21-30(43)35(36(46)34(25)37(47)49-23)28(24-15-17-27(48-2)18-16-24)22-33(45)39-20-19-32(44)41-38-40-29-13-6-7-14-31(29)50-38/h4,6-7,10,13-18,21,23,28,43,46H,3,5,8-9,11-12,19-20,22H2,1-2H3,(H,39,45)(H,40InChIKey
YHRBVVNKTYOHMS-GYDWINPNSA-NSynonyms
145705104
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1nc2c(s1)cccc2
InChI=1SC38H41N3O8Sc123981226(42)1153410252130(43)35(36(46)34(25)37(47)4923)28(24151727(482)181624)2233(45)39201932(44)4138402913671431(29)5038h4671013182123284346H35891112192022H212H3(H3945)(H404144)b104+t2328?m0s1
MFCD32650813
N(3(13benzothiazol2ylamino)3oxopropyl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
N(3(benzo(d)thiazol2ylamino)3oxopropyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N13benzothiazol2ylN~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)betaalaninamide
ZINC001848443185
ZINC001848443186
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