Vitas-M small molecule compound
4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}benzenesulfonamide
Catalog ID
STK685893
SMILES COc1ccc(cc1OC)CCn1c(=O)[nH]c(=O)c2c1NC(=O)C2(NS(=O)(=O)c1ccc(cc1)Cl)C(F)(F)F
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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 C23H20ClF3N4O7S MW 588.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClF3N4O7S/c1-37-15-8-3-12(11-16(15)38-2)9-10-31-18-17(19(32)29-21(31)34)22(20(33)28-18,23(25,26)27)30-39(35,36)14-6-4-13(24)5-7-14/h3-8,11,30H,9-10H2,1-2H3,(H,28,33)(H,29,32,34)InChIKey
BFVULHUEMWTOGA-UHFFFAOYSA-NSynonyms
4chloroN(1(2(34dimethoxyphenyl)ethyl)246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)benzenesulfonamide
4CHLORON(1(2(34DIMETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)BENZENESULFONAMIDE
4chloroN(1(34dimethoxyphenethyl)246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)benzenesulfonamide
COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)Cl)OC
COc1ccc(cc1OC)CCn1c(=O)(nH)c(=O)c2c1NC(=O)C2(NS(=O)(=O)c1ccc(cc1)Cl)C(F)(F)F
InChI=1SC23H20ClF3N4O7Sc137158312(1116(15)382)910311817(19(32)2921(31)34)22(20(33)281823(2526)27)3039(3536)146413(24)5714h381130H910H212H3(H2833)(H293234)
MFCD03941181
ZINC000001860161
Check stock
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Check stock on Vitas-MAvailable files
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