Vitas-M small molecule compound
4-(7-chloro-1,3-benzodioxol-5-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK930924
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1cc(Cl)c2c(c1)OCO2)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 C14H12ClN3O3S MW 337.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN3O3S/c1-6-11-13(22-4-10(19)16-14(11)18-17-6)7-2-8(15)12-9(3-7)20-5-21-12/h2-3,13H,4-5H2,1H3,(H2,16,17,18,19)InChIKey
NLTOKBVFXFVKFO-UHFFFAOYSA-NSynonyms
1224169-66-71224169667
4(7chloro13benzodioxol5yl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(7chloro13benzodioxol5yl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC4=C(C(=C3)Cl)OCO4
InChI=1SC14H12ClN3O3Sc161113(22410(19)1614(11)18176)728(15)129(37)2052112h2313H45H21H3(H216171819)
MFCD18176789
OC1=Nc2(nH)nc(c2C(SC1)c1cc(Cl)c2c(c1)OCO2)C
ZINC000044891538
ZINC000044891541
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