Vitas-M small molecule compound
(13bS)-13-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Catalog ID
STL548995
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Cn1c2ccccc2c2c1[C@@H]1N(CC2)C(=O)c2c(N1C)cccc2
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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 C32H33N5O3 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N5O3/c1-33-27-9-5-4-8-26(27)32(39)36-16-15-25-24-7-3-6-10-28(24)37(30(25)31(33)36)21-29(38)35-19-17-34(18-20-35)22-11-13-23(40-2)14-12-22/h3-14,31H,15-21H2,1-2H3/t31-/m0/s1InChIKey
JNLDXTYMFLFHPJ-HKBQPEDESA-NSynonyms
(1~(S))3(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)21methyl31321triazapentacyclo(11800^(210)0^(49)0^(1520))henicosa2(10)468151719heptaen14one
(13bS)13(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)14methyl81313b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(7H)one
(S)13(2(4(4methoxyphenyl)piperazin1yl)2oxoethyl)14methyl7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(13H)one
110207836
COc1ccc(cc1)N1CCN(CC1)C(=O)Cn1c2ccccc2c2c1(C@@H)1N(CC2)C(=O)c2c(N1C)cccc2
InChI=1SC32H33N5O3c13327954826(27)32(39)36161525247361028(24)37(30(25)31(33)36)2129(38)35191734(182035)22111323(402)141222h31431H1521H212H3t31m0s1
ZINC000253407090
ZINC253407090
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