Vitas-M small molecule compound
4-[3,5-dimethyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazol-4-yl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STL314525
SMILES OC1=Nc2[nH]ncc2C(SC1)c1c(C)nn(c1C)C1(C)CCS(=O)(=O)C1
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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 C16H21N5O3S2 MW 395.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O3S2/c1-9-13(14-11-6-17-19-15(11)18-12(22)7-25-14)10(2)21(20-9)16(3)4-5-26(23,24)8-16/h6,14H,4-5,7-8H2,1-3H3,(H2,17,18,19,22)InChIKey
CNYQSWDOXQDNPZ-UHFFFAOYSA-NSynonyms
1401536-68-21401536682
4(35dimethyl1(3methyl11dioxidotetrahydrothiophen3yl)1Hpyrazol4yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(35dimethyl1(3methyl11dioxothiolan3yl)pyrazol4yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C(C(=NN1C2(CCS(=O)(=O)C2)C)C)C3C4=CNNC4=NC(=O)CS3
InChI=1SC16H21N5O3S2c1913(14116171915(11)1812(22)72514)10(2)21(209)16(3)4526(2324)816h614H4578H213H3(H217181922)
MFCD28030764
OC1=Nc2(nH)ncc2C(SC1)c1c(C)nn(c1C)C1(C)CCS(=O)(=O)C1
ZINC000079487270
ZINC000079487279
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