Vitas-M small molecule compound
4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STL310017
SMILES COc1ccc(cc1)c1n[nH]cc1C1SCC(=Nc2c1cn[nH]2)O
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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 C16H15N5O2S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O2S/c1-23-10-4-2-9(3-5-10)14-11(6-17-20-14)15-12-7-18-21-16(12)19-13(22)8-24-15/h2-7,15H,8H2,1H3,(H,17,20)(H2,18,19,21,22)InChIKey
KZFGIPPUNCFGBX-UHFFFAOYSA-NSynonyms
1401591-87-41401591874
4(3(4methoxyphenyl)1Hpyrazol4yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(5(4methoxyphenyl)1Hpyrazol4yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
COC1=CC=C(C=C1)C2=C(C=NN2)C3C4=CNNC4=NC(=O)CS3
COc1ccc(cc1)c1n(nH)cc1C1SCC(=Nc2c1cn(nH)2)O
InChI=1SC16H15N5O2Sc12310429(3510)1411(6172014)15127182116(12)1913(22)82415h2715H8H21H3(H1720)(H218192122)
MFCD28025280
ZINC000079477010
ZINC000079477013
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