Vitas-M small molecule compound

(1R,9R,16S,16aR)-4-(acetylamino)-N-(2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}ethyl)-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
STL561581
SMILES COc1cc2c(O)nc(nc2cc1OC)CSCCNC(=O)[C@@H]1Cc2cc(ccc2N2[C@@H]1[C@@H]1C[C@H](C2)Cn2c1cccc2=O)NC(=O)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 C35H38N6O6S MW 670.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N6O6S/c1-19(42)37-22-7-8-27-21(12-22)13-25(33-24-11-20(17-41(27)33)16-40-28(24)5-4-6-32(40)43)34(44)36-9-10-48-18-31-38-26-15-30(47-3)29(46-2)14-23(26)35(45)39-31/h4-8,12,14-15,20,24-25,33H,9-11,13,16-18H2,1-3H3,(H,36,44)(H,37,42)(H,38,39,4
InChIKey
UEOUIQFRIDCZPY-TYBHTAATSA-N
Synonyms
(1R9R16S16aR)4(acetylamino)N(2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)ethyl)12oxo1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
(1S2R3R13R)7acetamidoN(2((67dimethoxy4oxo3Hquinazolin2yl)methylsulfanyl)ethyl)16oxo1115diazapentacyclo(11710211051001520)henicosa5(10)681719pentaene3carboxamide
NE1CARBOXAMIDE
Registry IDs
MFCD32650646
ZINC001848443061

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Available files

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