Vitas-M small molecule compound

N~1~-cyclopentyl-N~2~-{(2S)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanoyl}-L-aspartamide

Catalog ID
STL529177
SMILES NC(=O)C[C@@H](C(=O)NC1CCCC1)NC(=O)[C@@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(C)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 C28H36N6O5 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N6O5/c1-15(2)22(25(37)32-20(14-21(29)35)24(36)30-16-8-4-5-9-16)34-26(38)28(3)23-18(12-13-33(28)27(34)39)17-10-6-7-11-19(17)31-23/h6-7,10-11,15-16,20,22,31H,4-5,8-9,12-14H2,1-3H3,(H2,29,35)(H,30,36)(H,32,37)/t20-,22-,28-/m0/s1
InChIKey
OKDMHDCSXOJAGB-AHPZTNMXSA-N
Synonyms
956929-25-2
(2~(S))~(N)cyclopentyl2(((2~(S))3methyl2((2~(S))2methyl35dioxo4616triazatetracyclo(7700^(26)0^(1015))hexadeca1(9)101214tetraen4yl)butanoyl)amino)butanediamide
(S)N1cyclopentyl2((S)3methyl2((S)11bmethyl13dioxo56dihydro1Himidazo(1512)pyrido(34b)indol2(3H11H11bH)yl)butanamido)succinamide
16403407
956929252
InChI=1SC28H36N6O5c115(2)22(25(37)3220(1421(29)35)24(36)3016845916)3426(38)28(3)2318(121333(28)27(34)39)1710671119(17)3123h6710111516202231H45891214H213H3(H22935)(H3036)(H3237)t202228m0s1
N~1~cyclopentylN~2~((2S)3methyl2((11bS)11bmethyl13dioxo561111btetrahydro1Himidazo(1512)pyrido(34b)indol2(3H)yl)butanoyl)Laspartamide
NC(=O)C(C@@H)(C(=O)NC1CCCC1)NC(=O)(C@@H)(N1C(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1CC2)cccc3)C(C)C
ZINC000070698558
ZINC70698558

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Available files

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