Vitas-M small molecule compound
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)-N-(2-sulfamoylethyl)propanamide
Catalog ID
STL561988
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCS(=O)(=O)N
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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 C30H38N2O9S MW 602.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O9S/c1-19-7-6-10-22(33)9-5-3-4-8-21-17-25(34)28(29(36)27(21)30(37)41-19)24(20-11-13-23(40-2)14-12-20)18-26(35)32-15-16-42(31,38)39/h4,8,11-14,17,19,24,34,36H,3,5-7,9-10,15-16,18H2,1-2H3,(H,32,35)(H2,31,38,39)/b8-4+/t19-,24?/m0/s1InChIKey
KOECNELGPQKCOG-AYTVZHDMSA-NSynonyms
145705340
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N(2sulfamoylethyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N(2sulfamoylethyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N(2sulfamoylethyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCS(=O)(=O)N
InChI=1SC30H38N2O9Sc119761022(33)95348211725(34)28(29(36)27(21)30(37)4119)24(20111323(402)141220)1826(35)32151642(3138)39h4811141719243436H357910151618H212H3(H3235)(H2313839)b84+t1924?m0s1
MFCD32651043
ZINC001848443358
ZINC001848443359
Check stock
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Check stock on Vitas-MAvailable files
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