Vitas-M small molecule compound
2-amino-4-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL416508
SMILES C=CCOc1c(Br)cc(cc1OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)Nc1ccccc1)C#N
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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 C28H29BrN4O3 MW 549.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN4O3/c1-5-11-36-26-20(29)12-17(13-23(26)35-4)24-19(16-30)27(31)33(32-18-9-7-6-8-10-18)21-14-28(2,3)15-22(34)25(21)24/h5-10,12-13,24,32H,1,11,14-15,31H2,2-4H3InChIKey
XXTNDCKDGRWVRF-UHFFFAOYSA-NSynonyms
2AMINO1ANILINO4(3BROMO5METHOXY4PROP2ENOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino4(3bromo5methoxy4(prop2en1yloxy)phenyl)77dimethyl5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=CC(=C(C(=C4)Br)OCC=C)OC)C(=O)C1)C
InChI=1SC28H29BrN4O3c1511362620(29)1217(1323(26)354)2419(1630)27(31)33(321897681018)211428(23)1522(34)25(21)24h51012132432H111141531H224H3
MFCD04091289
ZINC000002170054
ZINC000002170057
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