Vitas-M small molecule compound

(12aS)-2-(butan-2-yl)-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
STL566181
SMILES CCC(N1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)[nH]c2c1cccc2)C

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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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-6-15(2)29-14-23(31)30-20(27(29)32)13-18-17-9-7-8-10-19(17)28-24(18)25(30)16-11-21(33-3)26(35-5)22(12-16)34-4/h7-12,15,20,25,28H,6,13-14H2,1-5H3/t15?,20-,25?/m0/s1
InChIKey
LWQSBNAXPHFNGO-RSASLARPSA-N
Synonyms
956933-31-6
(12aS)2(butan2yl)6(345trimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(secbutyl)6(345trimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8S)6butan2yl2(345trimethoxyphenyl)3617triazatetracyclo(87003801116)heptadeca1(10)111315tetraene47dione
16399377
956933316
CCC(N1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cc(OC)c(c(c2)OC)OC)(nH)c2c1cccc2)C
InChI=1SC27H31N3O5c1615(2)291423(31)3020(27(29)32)1318179781019(17)2824(18)25(30)161121(333)26(355)22(1216)344h71215202528H61314H215H3t15?2025?m0s1
ZINC000002099016
ZINC000002099021

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Available files

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