Vitas-M small molecule compound
3-methyl-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK938856
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1c(C)nn(c1C)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 C13H17N5OS MW 291.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N5OS/c1-6-11-12(10-7(2)17-18(4)8(10)3)20-5-9(19)14-13(11)16-15-6/h12H,5H2,1-4H3,(H2,14,15,16,19)InChIKey
JWSKCACTOGDSCV-UHFFFAOYSA-NSynonyms
1224165-90-51224165905
3methyl4(135trimethyl1Hpyrazol4yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
3methyl4(135trimethylpyrazol4yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
CC1=C2C(SCC(=O)N=C2NN1)C3=C(N(N=C3C)C)C
InChI=1SC13H17N5OSc161112(107(2)1718(4)8(10)3)2059(19)1413(11)16156h12H5H214H3(H214151619)
MFCD18179081
OC1=Nc2(nH)nc(c2C(SC1)c1c(C)nn(c1C)C)C
ZINC000044916389
ZINC000044916394
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