Vitas-M small molecule compound
propan-2-yl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL404915
SMILES COc1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC(C2)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 C28H27F3N4O4S MW 572.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F3N4O4S/c1-14(2)39-27(37)24-18-10-5-15(3)11-21(18)40-26(24)33-25(36)20-13-23-32-19(16-6-8-17(38-4)9-7-16)12-22(28(29,30)31)35(23)34-20/h6-9,12-15H,5,10-11H2,1-4H3,(H,33,36)InChIKey
CQRHXVRBXNUSNZ-UHFFFAOYSA-NSynonyms
312699-23-3312699233
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F
InChI=1SC28H27F3N4O4Sc114(2)3927(37)241810515(3)1121(18)4026(24)3325(36)2013233219(166817(384)9716)1222(28(2930)31)35(23)3420h691215H51011H214H3(H3336)
MFCD01919288
propan2yl2(((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000002084435
ZINC000002084436
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