Vitas-M small molecule compound
N-[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Catalog ID
STK304728
SMILES O=C(c1c(NC(=O)c2n(C)nc(c2Cl)C(F)(F)F)sc2c1CCC(C2)C(C)(C)C)NC1CC1
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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 C22H26ClF3N4O2S MW 502.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClF3N4O2S/c1-21(2,3)10-5-8-12-13(9-10)33-20(14(12)18(31)27-11-6-7-11)28-19(32)16-15(23)17(22(24,25)26)29-30(16)4/h10-11H,5-9H2,1-4H3,(H,27,31)(H,28,32)InChIKey
XDCAVYZHHGAHIZ-UHFFFAOYSA-NSynonyms
1005655-76-41005655764
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4=C(C(=NN4C)C(F)(F)F)Cl
InChI=1SC22H26ClF3N4O2Sc121(23)10581213(910)3320(14(12)18(31)27116711)2819(32)1615(23)17(22(2425)26)2930(16)4h1011H59H214H3(H2731)(H2832)
MFCD04129528
N(6tertbutyl3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)4chloro1methyl3(trifluoromethyl)1Hpyrazole5carboxamide
N(6tertbutyl3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)4chloro2methyl5(trifluoromethyl)pyrazole3carboxamide
ZINC000002781794
ZINC000002781795
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