Vitas-M small molecule compound
7-hydroxy-1-(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL310547
SMILES CC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)C(F)(F)F)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 C16H16F3N3O2S MW 371.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N3O2S/c1-8(2)22-14-12(15(24)21-22)13(25-7-11(23)20-14)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,13H,7H2,1-2H3,(H,20,23)(H,21,24)InChIKey
PYRAQPIWKWVDOX-UHFFFAOYSA-NSynonyms
1435999-94-21435999942
1propan2yl4(4(trifluoromethyl)phenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy1(propan2yl)4(4(trifluoromethyl)phenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N1
CC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)C(F)(F)F)C
InChI=1SC16H16F3N3O2Sc18(2)221412(15(24)2122)13(25711(23)2014)93510(649)16(1718)19h36813H7H212H3(H2023)(H2124)
MFCD28025582
ZINC000095473410
ZINC000095473411
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