Vitas-M small molecule compound
butan-2-yl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK968362
SMILES CCC(OC(=O)c1c(NC(=O)c2nn3c(n2)nc(cc3C(F)F)C)sc2c1CCCC2)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 C21H23F2N5O3S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N5O3S/c1-4-11(3)31-20(30)15-12-7-5-6-8-14(12)32-19(15)26-18(29)17-25-21-24-10(2)9-13(16(22)23)28(21)27-17/h9,11,16H,4-8H2,1-3H3,(H,26,29)InChIKey
APUCLIPDKHJTEG-UHFFFAOYSA-NSynonyms
445035-98-3445035983
butan2yl2(((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
butan2yl2((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F
InChI=1SC21H23F2N5O3Sc1411(3)3120(30)1512756814(12)3219(15)2618(29)1725212410(2)913(16(22)23)28(21)2717h91116H48H213H3(H2629)
MFCD02243246
ZINC000002768953
ZINC000002768954
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