Vitas-M small molecule compound
4''-hydroxy-1''-(2-hydroxyphenyl)-3''-[(4-methoxyphenyl)carbonyl]-2,3',3',5-tetramethyl-4,5',5''-trioxo-1'',2',3',5''-tetrahydrodispiro[cyclohexa-2,5-diene-1,1'-pyrrolizine-6',2''-pyrrole]-7'-carboxamide
Catalog ID
STL550175
SMILES COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C21C(=O)N1C(=C2C(=O)N)C2(CC1(C)C)C=C(C)C(=O)C=C2C)c1ccccc1O
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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 C34H31N3O8 MW 609.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N3O8/c1-17-15-33(18(2)14-23(17)39)16-32(3,4)37-28(33)25(29(35)42)34(31(37)44)24(26(40)19-10-12-20(45-5)13-11-19)27(41)30(43)36(34)21-8-6-7-9-22(21)38/h6-15,38,41H,16H2,1-5H3,(H2,35,42)InChIKey
FOLXTYCHBRLBCX-UHFFFAOYSA-NSynonyms
4hydroxy1(2hydroxyphenyl)3((4methoxyphenyl)carbonyl)2335tetramethyl455trioxo1235tetrahydrodispiro(cyclohexa25diene11pyrrolizine62pyrrole)7carboxamide
4hydroxy1(2hydroxyphenyl)3((4methoxyphenyl)carbonyl)3336tetramethyl455trioxo1355tetrahydro2Hdispiro(cyclohexane11pyrrolizine62pyrrole)25diene7carboxamide
InChI=1SC34H31N3O8c1171533(18(2)1423(17)39)1632(34)3728(33)25(29(35)42)34(31(37)44)24(26(40)19101220(455)131119)27(41)30(43)36(34)21867922(21)38h6153841H16H215H3(H23542)
MFCD31757438
ZINC000604403950
ZINC000604403953
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