Vitas-M small molecule compound
methyl 4-{(12aS)-2-[3-(morpholin-4-yl)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
STL537945
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCCN1CCOCC1
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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 C29H32N4O5 MW 516.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O5/c1-37-29(36)20-9-7-19(8-10-20)27-26-22(21-5-2-3-6-23(21)30-26)17-24-28(35)32(18-25(34)33(24)27)12-4-11-31-13-15-38-16-14-31/h2-3,5-10,24,27,30H,4,11-18H2,1H3/t24-,27?/m0/s1InChIKey
BQGBCXKIRZVIBC-BXXZMZEQSA-NSynonyms
956942-98-616401183
956942986
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCCN1CCOCC1
InChI=1SC29H32N4O5c13729(36)209719(81020)272622(21523623(21)3026)172428(35)32(1825(34)33(24)27)1241131131538161431h23510242730H41118H21H3t2427?m0s1
methyl4((12aS)2(3(morpholin4yl)propyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((12aS)2(3morpholinopropyl)14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
methyl4((8~(S))6(3morpholin4ylpropyl)47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen2yl)benzoate
MFCD05673276
ZINC000020609929
ZINC000020609931
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