Vitas-M small molecule compound
3-methyl-4-{4-[(2-methylbenzyl)oxy]phenyl}-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STK943049
SMILES OC1=Nc2[nH]nc(c2C(SC1)c1ccc(cc1)OCc1ccccc1C)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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-13-5-3-4-6-16(13)11-26-17-9-7-15(8-10-17)20-19-14(2)23-24-21(19)22-18(25)12-27-20/h3-10,20H,11-12H2,1-2H3,(H2,22,23,24,25)InChIKey
PERQHMZPOSVHHD-UHFFFAOYSA-NSynonyms
931730-50-63methyl4(4((2methylbenzyl)oxy)phenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
3methyl4(4((2methylphenyl)methoxy)phenyl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
931730506
CC1=CC=CC=C1COC2=CC=C(C=C2)C3C4=C(NNC4=NC(=O)CS3)C
InChI=1SC21H21N3O2Sc113534616(13)1126179715(81017)201914(2)232421(19)2218(25)122720h31020H1112H212H3(H222232425)
MFCD18180270
OC1=Nc2(nH)nc(c2C(SC1)c1ccc(cc1)OCc1ccccc1C)C
ZINC000020898830
ZINC000020898832
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