Vitas-M small molecule compound

(12aS)-6-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL538164
SMILES CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1OC

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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 C31H31N3O5 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O5/c1-4-39-26-14-13-19(15-27(26)38-3)30-29-22(21-10-6-7-11-23(21)32-29)16-24-31(36)33(18-28(35)34(24)30)17-20-9-5-8-12-25(20)37-2/h5-15,24,30,32H,4,16-18H2,1-3H3/t24-,30?/m0/s1
InChIKey
CLZUMDKMUZMQFK-YJJLJQPASA-N
Synonyms
956912-21-3
(12aS)6(4ethoxy3methoxyphenyl)2(2methoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4ethoxy3methoxyphenyl)2(2methoxybenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4ethoxy3methoxyphenyl)6((2methoxyphenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401583
956912213
CCOc1ccc(cc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)Cc1ccccc1OC
InChI=1SC31H31N3O5c143926141319(1527(26)383)302922(2110671123(21)3229)162431(36)33(1828(35)34(24)30)17209581225(20)372h515243032H41618H213H3t2430?m0s1
MFCD05675425
ZINC000002160353
ZINC000002160356

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Available files

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