Vitas-M small molecule compound
4-(3-hydroxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK930209
SMILES Oc1cccc(c1)C1SCC(=Nc2c1c(C)n[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 C13H13N3O2S MW 275.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O2S/c1-7-11-12(8-3-2-4-9(17)5-8)19-6-10(18)14-13(11)16-15-7/h2-5,12,17H,6H2,1H3,(H2,14,15,16,18)InChIKey
MYUAUZYIJZPRGF-UHFFFAOYSA-NSynonyms
1031566-62-71031566627
4(3hydroxyphenyl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3hydroxyphenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC(=CC=C3)O
InChI=1SC13H13N3O2Sc171112(83249(17)58)19610(18)1413(11)16157h251217H6H21H3(H214151618)
MFCD18176579
Oc1cccc(c1)C1SCC(=Nc2c1c(C)n(nH)2)O
ZINC000021788307
ZINC000021788311
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