Vitas-M small molecule compound

4-(2,6-dichlorophenyl)-2,6-dihydro-4H-pyrazolo[3,4-e][1,4]thiazepin-7-ol

Catalog ID
STK640187
SMILES OC1=Nc2n[nH]cc2C(SC1)c1c(Cl)cccc1Cl

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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 C12H9Cl2N3OS MW 314.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9Cl2N3OS/c13-7-2-1-3-8(14)10(7)11-6-4-15-17-12(6)16-9(18)5-19-11/h1-4,11H,5H2,(H2,15,16,17,18)
InChIKey
IEBWUYYIRJQACQ-UHFFFAOYSA-N
Synonyms
1171847-16-7
1171847167
4(26dichlorophenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(26dichlorophenyl)26dihydro4Hpyrazolo(34e)(14)thiazepin7ol
C1C(=O)N=C2C(=CNN2)C(S1)C3=C(C=CC=C3Cl)Cl
InChI=1SC12H9Cl2N3OSc1372138(14)10(7)1164151712(6)169(18)51911h1411H5H2(H215161718)
MFCD18162257
OC1=Nc2n(nH)cc2C(SC1)c1c(Cl)cccc1Cl
ZINC000020730200
ZINC000020730203

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Available files

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