Vitas-M small molecule compound

(12aR)-2-(3-hydroxypropyl)-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
STL528142
SMILES OCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)[nH]c2c1cccc2

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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 C26H29N3O6 MW 479.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O6/c1-33-20-11-15(12-21(34-2)25(20)35-3)24-23-17(16-7-4-5-8-18(16)27-23)13-19-26(32)28(9-6-10-30)14-22(31)29(19)24/h4-5,7-8,11-12,19,24,27,30H,6,9-10,13-14H2,1-3H3/t19-,24?/m1/s1
InChIKey
PAZHHDGETDJEQP-PHSANKKPSA-N
Synonyms

(12aR)2(3hydroxypropyl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(3hydroxypropyl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(3hydroxypropyl)2(345trimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44714867
InChI=1SC26H29N3O6c133201115(1221(342)25(20)353)242317(16745818(16)2723)131926(32)28(961030)1422(31)29(19)24h4578111219242730H69101314H213H3t1924?m1s1
MFCD03851402
OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)(nH)c2c1cccc2
ZINC000016031318
ZINC000016031320

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Available files

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