Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-[2,3-dimethyl-5-oxo-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)amino]benzamide
Catalog ID
STK665686
SMILES COc1cc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)n2c(=O)c(c(n2C)C)C(C)C)ccc1OC
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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 C31H36N4O6S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O6S/c1-20(2)29-21(3)34(4)35(31(29)37)23-12-14-24(15-13-23)42(38,39)33-26-10-8-7-9-25(26)30(36)32-18-17-22-11-16-27(40-5)28(19-22)41-6/h7-16,19-20,33H,17-18H2,1-6H3,(H,32,36)InChIKey
IABKSZAQVSVQME-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)NCCC4=CC(=C(C=C4)OC)OC)C(C)C
InChI=1SC31H36N4O6Sc120(2)2921(3)34(4)35(31(29)37)23121424(151323)42(3839)33261087925(26)30(36)32181722111627(405)28(1922)416h716192033H1718H216H3(H3236)
MFCD09064853
N(2(34DIMETHOXYPHENYL)ETHYL)(2(((4(23DIMETHYL4(METHYLETHYL)5OXO(3PYRAZOLINYL))PHENYL)SULFONYL)AMINO)PHENYL)CARBOXAMIDE
N(2(34dimethoxyphenyl)ethyl)2(((4(23dimethyl5oxo4(propan2yl)25dihydro1Hpyrazol1yl)phenyl)sulfonyl)amino)benzamide
N(2(34dimethoxyphenyl)ethyl)2((4(23dimethyl5oxo4propan2ylpyrazol1yl)phenyl)sulfonylamino)benzamide
ZINC000100234182
ZINC100234182
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