Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL171835
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1C2=C(NC(=C1C(=O)Nc1nc3c(s1)cccc3)C)CC(CC2=O)(C)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 C34H32N4O6S MW 624.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O6S/c1-19-29(32(40)37-33-36-24-7-5-6-8-28(24)45-33)30(31-25(35-19)16-34(2,3)17-26(31)39)20-9-14-27(43-4)21(15-20)18-44-23-12-10-22(11-13-23)38(41)42/h5-15,30,35H,16-18H2,1-4H3,(H,36,37,40)InChIKey
ZIKUUIBXBYVPHM-UHFFFAOYSA-NSynonyms
444935-60-8444935608
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC5=NC6=CC=CC=C6S5
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C1C2=C(NC(=C1C(=O)Nc1nc3c(s1)cccc3)C)CC(CC2=O)(C)C
InChI=1SC34H32N4O6Sc11929(32(40)37333624756828(24)4533)30(3125(3519)1634(23)1726(31)39)2091427(434)21(1520)184423121022(111323)38(41)42h5153035H1618H214H3(H363740)
MFCD03071336
N(13benzothiazol2yl)4(4methoxy3((4nitrophenoxy)methyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
N(13benzothiazol2yl)4(4methoxy3((4nitrophenoxy)methyl)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
ZINC000008450357
ZINC000097959842
Check stock
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Check stock on Vitas-MAvailable files
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