Vitas-M small molecule compound

(2S)-N-butyl-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]propanamide

Catalog ID
STL529259
SMILES CCCCNC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cc(cc3)OC)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 C22H28N4O4 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4/c1-5-6-10-23-19(27)13(2)26-20(28)22(3)18-15(9-11-25(22)21(26)29)16-12-14(30-4)7-8-17(16)24-18/h7-8,12-13,24H,5-6,9-11H2,1-4H3,(H,23,27)/t13-,22-/m0/s1
InChIKey
ZVSMLSYMZIIUBD-XMHCIUCPSA-N
Synonyms
956242-63-0
(2~(S))~(N)butyl2((2~(S))12methoxy2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)10(15)1113tetraen4yl)propanamide
(2S)Nbutyl2((11bS)8methoxy11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)propanamide
(S)Nbutyl2((S)8methoxy11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)propanamide
7093350
956242630
CCCCNC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cc(cc3)OC)C
InChI=1SC22H28N4O4c156102319(27)13(2)2620(28)22(3)1815(91125(22)21(26)29)161214(304)7817(16)2418h78121324H56911H214H3(H2327)t1322m0s1
MFCD06493672
ZINC000004082932
ZINC4082932

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Available files

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