Vitas-M small molecule compound
(12aS)-2-cyclopentyl-6-(2,3-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536832
SMILES COc1cccc(c1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCC1
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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 C27H29N3O4 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O4/c1-33-22-13-7-11-18(26(22)34-2)25-24-19(17-10-5-6-12-20(17)28-24)14-21-27(32)29(15-23(31)30(21)25)16-8-3-4-9-16/h5-7,10-13,16,21,25,28H,3-4,8-9,14-15H2,1-2H3/t21-,25?/m0/s1InChIKey
JOBXOUIKFVEGHY-BWDMCYIDSA-NSynonyms
956941-91-6(12aS)2cyclopentyl6(23dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclopentyl6(23dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclopentyl2(23dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399465
956941916
COc1cccc(c1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC27H29N3O4c133221371118(26(22)342)252419(1710561220(17)2824)142127(32)29(1523(31)30(21)25)16834916h57101316212528H34891415H212H3t2125?m0s1
MFCD04143841
ZINC000002100104
ZINC000002100105
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