Vitas-M small molecule compound
1-(abieta-8,11,13-trien-18-yl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Catalog ID
STL535547
SMILES COc1ccc(cc1OC)c1csc(n1)C1=C(O)CN(C1=N)CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)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 C35H43N3O3S MW 585.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43N3O3S/c1-21(2)22-8-11-25-23(16-22)10-13-30-34(3,14-7-15-35(25,30)4)20-38-18-27(39)31(32(38)36)33-37-26(19-42-33)24-9-12-28(40-5)29(17-24)41-6/h8-9,11-12,16-17,19,21,30,36,39H,7,10,13-15,18,20H2,1-6H3/b36-32-InChIKey
ABKTYKNTRIARQX-HIELXXDYSA-NSynonyms
1(abieta81113trien18yl)4(4(34dimethoxyphenyl)13thiazol2yl)5imino25dihydro1Hpyrrol3ol
InChI=1SC35H43N3O3Sc121(2)228112523(1622)10133034(31471535(2530)4)20381827(39)31(32(38)36)333726(194233)2491228(405)29(1724)416h89111216171921303639H71013151820H216H3b3632+
MFCD31754061
ZINC000103505275
ZINC000253529903
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