Vitas-M small molecule compound

(12aS)-2-(3-phenylpropyl)-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537992
SMILES COc1c(OC)cc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCc1ccccc1

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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 C32H33N3O5 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O5/c1-38-26-16-21(17-27(39-2)31(26)40-3)30-29-23(22-13-7-8-14-24(22)33-29)18-25-32(37)34(19-28(36)35(25)30)15-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-14,16-17,25,30,33H,9,12,15,18-19H2,1-3H3/t25-,30?/m0/s1
InChIKey
FHECOYCBMKVEIZ-SUHMBNCMSA-N
Synonyms
956998-66-6
(12aS)2(3phenylpropyl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3phenylpropyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(3phenylpropyl)2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401268
956998666
COc1c(OC)cc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCc1ccccc1
InChI=1SC32H33N3O5c138261621(1727(392)31(26)403)302923(2213781424(22)3329)182532(37)34(1928(36)35(25)30)1591220105461120h48101113141617253033H912151819H213H3t2530?m0s1
MFCD05673699
ZINC000002116899
ZINC000002116901

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Available files

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