Vitas-M small molecule compound
3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-((2S,3S)-3-methyl-1-oxo-1-((1S,5R)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentan-2-yl)propanamide
Catalog ID
STL550659
SMILES CCC([C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O)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 C33H39N3O8 MW 605.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O8/c1-5-18(2)30(33(42)35-15-20-12-22(17-35)24-7-6-8-29(40)36(24)16-20)34-28(39)14-23(21-9-10-25(37)27(13-21)43-4)32-31(41)26(38)11-19(3)44-32/h6-11,13,18,20,22-23,30,37,41H,5,12,14-17H2,1-4H3,(H,34,39)/t18?,20-,22+,23?,30+/m1/s1InChIKey
WPBKMWSCHJUZTK-RXJUIABOSA-NSynonyms
127253088
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((2S3S)3methyl1oxo1((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pentan2yl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)((2~(S))3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentan2yl)propanamide
CCC((C@@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O)C
InChI=1SC33H39N3O8c1518(2)30(33(42)3515201222(1735)2476829(40)36(24)1620)3428(39)1423(2191025(37)27(1321)434)3231(41)26(38)1119(3)4432h6111318202223303741H5121417H214H3(H3439)t18?2022+23?30+m1s1
MFCD32650061
ZINC000604405996
ZINC000604405999
Check stock
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Check stock on Vitas-MAvailable files
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