Vitas-M small molecule compound
3-methyl-4-(2,3,4-trifluorophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK939567
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(c(c1F)F)F)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 C13H10F3N3OS MW 313.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10F3N3OS/c1-5-9-12(6-2-3-7(14)11(16)10(6)15)21-4-8(20)17-13(9)19-18-5/h2-3,12H,4H2,1H3,(H2,17,18,19,20)InChIKey
CCBFGVWCNGPDAL-UHFFFAOYSA-NSynonyms
1224170-34-61224170346
3methyl4(234trifluorophenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
3methyl4(234trifluorophenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=C(C(=C(C=C3)F)F)F
InChI=1SC13H10F3N3OSc15912(6237(14)11(16)10(6)15)2148(20)1713(9)19185h2312H4H21H3(H217181920)
MFCD18179294
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(c(c1F)F)F)C
ZINC000044917448
ZINC000044917454
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