Vitas-M small molecule compound

(12aR)-2-cyclopentyl-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
STL528194
SMILES COc1cc(cc(c1OC)OC)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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-34-22-12-16(13-23(35-2)27(22)36-3)26-25-19(18-10-6-7-11-20(18)29-25)14-21-28(33)30(15-24(32)31(21)26)17-8-4-5-9-17/h6-7,10-13,17,21,26,29H,4-5,8-9,14-15H2,1-3H3/t21-,26?/m1/s1
InChIKey
JNVFYXRBXDQZSE-OSMGYRLQSA-N
Synonyms
956920-47-1
(12aR)2cyclopentyl6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aR)2cyclopentyl6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(R))6cyclopentyl2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399167
956920471
COc1cc(cc(c1OC)OC)C1N2C(=O)CN(C(=O)(C@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC28H31N3O5c134221216(1323(352)27(22)363)262519(1810671120(18)2925)142128(33)30(1524(32)31(21)26)17845917h67101317212629H45891415H213H3t2126?m1s1
MFCD03854441
ZINC000002152211
ZINC000002152212

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Available files

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