Vitas-M small molecule compound
N-(4-chlorophenyl)-3-{[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzenesulfonamide
Catalog ID
STK889201
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)Cl
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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 C37H36ClN3O5S MW 670.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36ClN3O5S/c1-3-45-31-19-11-25(12-20-31)23-27-7-6-10-34-35(27)39-41(36(34)26-13-21-32(22-14-26)46-4-2)37(42)28-8-5-9-33(24-28)47(43,44)40-30-17-15-29(38)16-18-30/h5,8-9,11-24,34,36,40H,3-4,6-7,10H2,1-2H3/b27-23+InChIKey
QZBIGHDOKBRURE-SLEBQGDGSA-NSynonyms
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC(=CC=C5)S(=O)(=O)NC6=CC=C(C=C6)Cl
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)Cl
InChI=1SC37H36ClN3O5Sc134531191125(122031)232776103435(27)3941(36(34)26132132(221426)4642)37(42)2885933(2428)47(4344)4030171529(38)161830h5891124343640H346710H212H3b2723+
MFCD02702602
N(4chlorophenyl)3(((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)carbonyl)benzenesulfonamide
N(4CHLOROPHENYL)3((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZENESULFONAMIDE
ZINC000097965181
ZINC000097965184
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