Vitas-M small molecule compound
ethyl (5a'R,11'S)-1'-(2-hydroxyphenyl)-4'-(4-methoxyphenyl)-8',8'-dimethyl-2',3',4,10'-tetraoxo-2',3',7',8'-tetrahydro-1'H-spiro[cyclohexa-2,5-diene-1,6'-[5]oxa[1,9]diaza[5a,10a]methanodipyrrolo[2,1-b:2',3'-e][1,3]oxazepine]-11'-carboxylate
Catalog ID
STL553519
SMILES CCOC(=O)[C@H]1C23C(=C(O[C@@]41N(C3=O)C(CC14C=CC(=O)C=C1)(C)C)c1ccc(cc1)OC)C(=O)C(=O)N2c1ccccc1O
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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 C34H30N2O9 MW 610.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O9/c1-5-44-29(41)27-33-24(25(39)28(40)35(33)22-8-6-7-9-23(22)38)26(19-10-12-21(43-4)13-11-19)45-34(27)32(16-14-20(37)15-17-32)18-31(2,3)36(34)30(33)42/h6-17,27,38H,5,18H2,1-4H3/t27-,33?,34+/m0/s1InChIKey
AGFVLLUZTXVFCL-FNHRJEOVSA-NSynonyms
(5aR11S)ethyl1(2hydroxyphenyl)4(4methoxyphenyl)88dimethyl23410tetraoxo1237810hexahydrospiro(5a10amethanodipyrrolo(21b23e)(13)oxazepine61cyclohexa(25)diene)11carboxylate
127254044
CCOC(=O)(C@H)1C23C(=C(O(C@@)41N(C3=O)C(CC14C=CC(=O)C=C1)(C)C)c1ccc(cc1)OC)C(=O)C(=O)N2c1ccccc1O
ethyl(1~(R)14~(S))7(2hydroxyphenyl)3(4methoxyphenyl)1111dimethyl5669tetraoxospiro(2oxa710diazatetracyclo(6510^(110)0^(48))tetradec3ene133cyclohexa14diene)14carboxylate
ethyl(5aR11S)1(2hydroxyphenyl)4(4methoxyphenyl)88dimethyl23410tetraoxo2378tetrahydro1Hspiro(cyclohexa25diene16(5)oxa(19)diaza(5a10a)methanodipyrrolo(21b23e)(13)oxazepine)11carboxylate
InChI=1SC34H30N2O9c154429(41)273324(25(39)28(40)35(33)22867923(22)38)26(19101221(434)131119)4534(27)32(161420(37)151732)1831(23)36(34)30(33)42h6172738H518H214H3t2733?34+m0s1
ZINC000604406273
Check stock
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