Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxo-5,6-dihydropyrido[2,3-b][1,4]benzothiazepin-8-yl)prop-2-enamide
Catalog ID
STL408975
SMILES COc1cc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N(C)c2c(S3)nccc2)ccc1OC
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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 C24H21N3O4S MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S/c1-27-18-5-4-12-25-23(18)32-21-10-8-16(14-17(21)24(27)29)26-22(28)11-7-15-6-9-19(30-2)20(13-15)31-3/h4-14H,1-3H3,(H,26,28)/b11-7+InChIKey
GNQOTQCKEGCBED-YRNVUSSQSA-NSynonyms
1574536-93-8(2E)3(34dimethoxyphenyl)N(5methyl6oxo56dihydropyrido(23b)(14)benzothiazepin8yl)prop2enamide
(E)3(34dimethoxyphenyl)N(5methyl6oxo56dihydrobenzo(f)pyrido(23b)(14)thiazepin8yl)acrylamide
(E)3(34dimethoxyphenyl)N(5methyl6oxopyrido(23b)(14)benzothiazepin8yl)prop2enamide
1574536938
CN1C2=C(N=CC=C2)SC3=C(C1=O)C=C(C=C3)NC(=O)C=CC4=CC(=C(C=C4)OC)OC
COc1cc(C=CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2c(S3)nccc2)ccc1OC
InChI=1SC24H21N3O4Sc1271854122523(18)322110816(1417(21)24(27)29)2622(28)117156919(302)20(1315)313h414H13H3(H2628)b117+
MFCD28058180
ZINC000096223969
ZINC96223969
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