Vitas-M small molecule compound
N-(1,3-benzothiazol-2-yl)-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL171833
SMILES COc1ccc(cc1COc1ccc(cc1F)F)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 C34H31F2N3O4S MW 615.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31F2N3O4S/c1-18-29(32(41)39-33-38-23-7-5-6-8-28(23)44-33)30(31-24(37-18)15-34(2,3)16-25(31)40)19-9-11-26(42-4)20(13-19)17-43-27-12-10-21(35)14-22(27)36/h5-14,30,37H,15-17H2,1-4H3,(H,38,39,41)InChIKey
YTJIOIJQOLCCQC-UHFFFAOYSA-NSynonyms
445016-05-7445016057
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)F)C(=O)NC5=NC6=CC=CC=C6S5
InChI=1SC34H31F2N3O4Sc11829(32(41)39333823756828(23)4433)30(3124(3718)1534(23)1625(31)40)1991126(424)20(1319)174327121021(35)1422(27)36h5143037H1517H214H3(H383941)
MFCD03072840
N(13benzothiazol2yl)4(3((24difluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxamide
N(13benzothiazol2yl)4(3((24difluorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxamide
ZINC000097959853
ZINC000097959854
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