Vitas-M small molecule compound
3-{2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridin-6-yl}benzoic acid
Catalog ID
STK686305
SMILES OC(=O)c1cccc(c1)C1Nc2ccc(cc2C2C1C1CCC2C1)S(=O)(=O)Nc1oc(c(n1)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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-13-14(2)34-26(27-13)29-35(32,33)19-8-9-21-20(12-19)22-15-6-7-16(10-15)23(22)24(28-21)17-4-3-5-18(11-17)25(30)31/h3-5,8-9,11-12,15-16,22-24,28H,6-7,10H2,1-2H3,(H,27,29)(H,30,31)InChIKey
YSEYIDAXQSRKGV-UHFFFAOYSA-NSynonyms
3(2((45dimethyl13oxazol2yl)sulfamoyl)566a7891010aoctahydro710methanophenanthridin6yl)benzoicacid
CC1=C(OC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C5CCC4C5)C6=CC=CC(=C6)C(=O)O)C
InChI=1SC26H27N3O5Sc11314(2)3426(2713)2935(3233)19892120(1219)22156716(1015)23(22)24(2821)1743518(1117)25(30)31h358911121516222428H6710H212H3(H2729)(H3031)
MFCD06015565
ZINC000100194654
ZINC000252021496
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