Vitas-M small molecule compound
methyl 4-{(12aS)-2-[3-(dibutylamino)propyl]-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl}benzoate
Catalog ID
STL529067
SMILES CCCCN(CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2)CCCC
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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 C33H42N4O4 MW 558.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N4O4/c1-4-6-17-35(18-7-5-2)19-10-20-36-22-29(38)37-28(32(36)39)21-26-25-11-8-9-12-27(25)34-30(26)31(37)23-13-15-24(16-14-23)33(40)41-3/h8-9,11-16,28,31,34H,4-7,10,17-22H2,1-3H3/t28-,31?/m0/s1InChIKey
SUQHXKMDSNDPML-NPHAVVRNSA-NSynonyms
956818-83-016404053
956818830
CCCCN(CCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)(nH)c2c1cccc2)CCCC
InChI=1SC33H42N4O4c1461735(18752)191020362229(38)3728(32(36)39)21262511891227(25)3430(26)31(37)23131524(161423)33(40)413h891116283134H47101722H213H3t2831?m0s1
methyl4((12aS)2(3(dibutylamino)propyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(3(dibutylamino)propyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05725186
ZINC000070699850
ZINC000070699852
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