Vitas-M small molecule compound
(2E)-2-{[(12aS)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]imino}-N-(3-methylbutyl)ethanamide
Catalog ID
STL546685
SMILES CC(CCNC(=O)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(C2)[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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-13(2)7-8-22-19(27)10-23-26-12-20(28)25-11-17-15(9-18(25)21(26)29)14-5-3-4-6-16(14)24-17/h3-6,10,13,18,24H,7-9,11-12H2,1-2H3,(H,22,27)/b23-10+/t18-/m0/s1InChIKey
QDNYFFJAPBOXDZ-TXRNYMQSSA-NSynonyms
956964-80-0(2~(E))2(((8~(S))47dioxo3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraen6yl)imino)~(N)(3methylbutyl)acetamide
(2E)2(((12aS)14dioxo34671212ahexahydropyrazino(1216)pyrido(34b)indol2(1H)yl)imino)N(3methylbutyl)ethanamide
(SE)2((14dioxo341212atetrahydropyrazino(1216)pyrido(34b)indol2(1H6H7H)yl)imino)Nisopentylacetamide
9560517
956964800
CC(CCNC(=O)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2)C
InChI=1SC21H25N5O3c113(2)782219(27)1023261220(28)25111715(918(25)21(26)29)14534616(14)2417h3610131824H791112H212H3(H2227)b2310+t18m0s1
MFCD05676836
ZINC000004082168
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