Vitas-M small molecule compound
4-(3-chloro-4-hydroxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK935505
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(c(c1)Cl)O)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 C13H12ClN3O2S MW 309.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3O2S/c1-6-11-12(7-2-3-9(18)8(14)4-7)20-5-10(19)15-13(11)17-16-6/h2-4,12,18H,5H2,1H3,(H2,15,16,17,19)InChIKey
AZWNYJXMUJYVKX-UHFFFAOYSA-NSynonyms
1232777-84-21232777842
4(3chloro4hydroxyphenyl)3methyl24dihydro1Hpyrazolo(34e)(14)thiazepin7one
4(3chloro4hydroxyphenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
CC1=C2C(SCC(=O)N=C2NN1)C3=CC(=C(C=C3)O)Cl
InChI=1SC13H12ClN3O2Sc161112(7239(18)8(14)47)20510(19)1513(11)17166h241218H5H21H3(H215161719)
MFCD18178091
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(c(c1)Cl)O)C
ZINC000044901268
ZINC000044901270
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