Vitas-M small molecule compound
4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK936775
SMILES COc1cc(cc2c1OCCO2)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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-8-13-15(24-7-12(20)17-16(13)19-18-8)9-5-10(21-2)14-11(6-9)22-3-4-23-14/h5-6,15H,3-4,7H2,1-2H3,(H2,17,18,19,20)InChIKey
CKSQDECELOLFGW-UHFFFAOYSA-NSynonyms
1224168-92-61224168926
4(5methoxy23dihydro14benzodioxin7yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(8methoxy23dihydro14benzodioxin6yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC4=C(C(=C3)OC)OCCO4
COc1cc(cc2c1OCCO2)C1SCC(=Nc2c1c(C)n(nH)2)O
InChI=1SC16H17N3O4Sc181315(24712(20)1716(13)19188)9510(212)1411(69)22342314h5615H347H212H3(H217181920)
MFCD18178458
ZINC000044902174
ZINC000044902177
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