Vitas-M small molecule compound

(9R,16S)-4-(acetylamino)-N-[3-(1H-imidazol-1-yl)propyl]-12-oxo-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide

Catalog ID
STL552317
SMILES CC(=O)Nc1ccc2c(c1)CC(C1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCCn1ccnc1

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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 C28H32N6O3 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N6O3/c1-18(35)31-21-6-7-24-20(13-21)14-23(28(37)30-8-3-10-32-11-9-29-17-32)27-22-12-19(16-34(24)27)15-33-25(22)4-2-5-26(33)36/h2,4-7,9,11,13,17,19,22-23,27H,3,8,10,12,14-16H2,1H3,(H,30,37)(H,31,35)/t19-,22+,23?,27?/m0/s1
InChIKey
AAJHCIGYCZMNGR-LGJMTJQDSA-N
Synonyms

(1~(S)13~(R))7acetamido~(N)(3imidazol1ylpropyl)16oxo1115diazapentacyclo(11710^(211)0^(510)0^(1520))henicosa5(10)681719pentaene3carboxamide
(1R9R16S16aR)N(3(1Himidazol1yl)propyl)4acetamido12oxo128910121616aoctahydro916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(9R16S)4(acetylamino)N(3(1Himidazol1yl)propyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
135640574
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCCn1ccnc1
InChI=1SC28H32N6O3c118(35)3121672420(1321)1423(28(37)30831032119291732)27221219(1634(24)27)153325(22)42526(33)36h247911131719222327H3810121416H21H3(H3037)(H3135)t1922+23?27?m0s1
ZINC001547212374
ZINC001547212377

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Available files

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