Vitas-M small molecule compound
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK942969
SMILES COc1cc(ccc1O)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 C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-7-12-13(8-3-4-9(18)10(5-8)20-2)21-6-11(19)15-14(12)17-16-7/h3-5,13,18H,6H2,1-2H3,(H2,15,16,17,19)InChIKey
JBAHRTXVIGYGKW-UHFFFAOYSA-NSynonyms
1031987-45-71031987457
4(4hydroxy3methoxyphenyl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(4hydroxy3methoxyphenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC(=C(C=C3)O)OC
COc1cc(ccc1O)C1SCC(=Nc2c1c(C)n(nH)2)O
InChI=1SC14H15N3O3Sc171213(8349(18)10(58)202)21611(19)1514(12)17167h351318H6H212H3(H215161719)
MFCD18180241
ZINC000021525111
ZINC000021525114
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