Vitas-M small molecule compound

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

Catalog ID
STL002920
SMILES Brc1cccc(c1)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 C29H26BrN3O2 MW 528.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O2/c30-21-12-6-11-20(16-21)28-27-23(22-13-4-5-14-24(22)31-27)17-25-29(35)32(18-26(34)33(25)28)15-7-10-19-8-2-1-3-9-19/h1-6,8-9,11-14,16,25,28,31H,7,10,15,17-18H2/t25-,28?/m0/s1
InChIKey
YKRUCPWLMYOZNR-ALLRNTDFSA-N
Synonyms
956919-22-5
(12aS)6(3bromophenyl)2(3phenylpropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3bromophenyl)2(3phenylpropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3bromophenyl)2(3phenylpropyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956919225
Brc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCc1ccccc1
C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)Br)CCCC6=CC=CC=C6
InChI=1SC29H26BrN3O2c30211261120(1621)282723(2213451424(22)3127)172529(35)32(1826(34)33(25)28)15710198213919h1689111416252831H710151718H2t2528?m0s1
MFCD05677262
ZINC000002126099
ZINC000002126101

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Available files

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