Vitas-M small molecule compound
4-(3-chloro-2-fluorophenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411105
SMILES OC1=Nc2c(C(SC1)c1cccc(c1F)Cl)c(=O)[nH]n2C1CCOC(C1)(C)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 C19H21ClFN3O3S MW 425.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClFN3O3S/c1-19(2)8-10(6-7-27-19)24-17-14(18(26)23-24)16(28-9-13(25)22-17)11-4-3-5-12(20)15(11)21/h3-5,10,16H,6-9H2,1-2H3,(H,22,25)(H,23,26)InChIKey
LIPUFNZYIUXJQN-UHFFFAOYSA-NSynonyms
1574406-60-21574406602
4(3chloro2fluorophenyl)1(22dimethyloxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3chloro2fluorophenyl)1(22dimethyltetrahydro2Hpyran4yl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=C(C(=CC=C4)Cl)F)C(=O)N2)C
InChI=1SC19H21ClFN3O3Sc119(2)810(672719)241714(18(26)2324)16(28913(25)2217)1143512(20)15(11)21h351016H69H212H3(H2225)(H2326)
MFCD30706539
OC1=Nc2c(C(SC1)c1cccc(c1F)Cl)c(=O)(nH)n2C1CCOC(C1)(C)C
ZINC000096116904
ZINC000096116907
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