Vitas-M small molecule compound
(3Z)-5-methoxy-3-(1-methoxyethylidene)-4-(pyridin-4-ylamino)-2,3-dihydro-1H-2-benzazepine-1-carboxylic acid
Catalog ID
STL227957
SMILES CO/C(=C/1\NC(C(=O)O)c2c(C(=C1Nc1ccncc1)OC)cccc2)/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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-12(26-2)16-18(22-13-8-10-21-11-9-13)19(27-3)15-7-5-4-6-14(15)17(23-16)20(24)25/h4-11,17,23H,1-3H3,(H,21,22)(H,24,25)/b16-12-InChIKey
VZECUMIRVOUNTH-VBKFSLOCSA-NSynonyms
(3Z)5METHOXY3(1METHOXYETHYLIDENE)4(PYRIDIN4YLAMINO)12DIHYDRO2BENZAZEPINE1CARBOXYLICACID
(3Z)5methoxy3(1methoxyethylidene)4(pyridin4ylamino)23dihydro1H2benzazepine1carboxylicacid
CC(=C1C(=C(C2=CC=CC=C2C(N1)C(=O)O)OC)NC3=CC=NC=C3)OC
COC(=C1NC(C(=O)O)c2c(C(=C1Nc1ccncc1)OC)cccc2)C
InChI=1SC20H21N3O4c112(262)1618(22138102111913)19(273)15754614(15)17(2316)20(24)25h4111723H13H3(H2122)(H2425)b1612
MFCD00587344
ZINC000101025559
ZINC000101025560
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