Vitas-M small molecule compound
(12aS)-2-(3-butoxypropyl)-6-(2,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537930
SMILES CCCCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2OC)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 C29H35N3O5 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O5/c1-4-5-14-37-15-8-13-31-18-26(33)32-24(29(31)34)17-22-20-9-6-7-10-23(20)30-27(22)28(32)21-12-11-19(35-2)16-25(21)36-3/h6-7,9-12,16,24,28,30H,4-5,8,13-15,17-18H2,1-3H3/t24-,28?/m0/s1InChIKey
JVSLLIKQPKIZTR-ZZDYIDRTSA-NSynonyms
956944-43-7(12aS)2(3butoxypropyl)6(24dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(3butoxypropyl)6(24dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(3butoxypropyl)2(24dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399461
956944437
CCCCOCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2OC)OC)(nH)c2c1cccc2
InChI=1SC29H35N3O5c145143715813311826(33)3224(29(31)34)1722209671023(20)3027(22)28(32)21121119(352)1625(21)363h6791216242830H45813151718H213H3t2428?m0s1
MFCD04143830
ZINC000002100075
ZINC000002100077
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