Vitas-M small molecule compound
7-hydroxy-4-[2-(2-phenylethoxy)phenyl]-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL310409
SMILES OC1=Nc2c(C(SC1)c1ccccc1OCCc1ccccc1)c(=O)[nH]n2C(C)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 C23H25N3O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S/c1-15(2)26-22-20(23(28)25-26)21(30-14-19(27)24-22)17-10-6-7-11-18(17)29-13-12-16-8-4-3-5-9-16/h3-11,15,21H,12-14H2,1-2H3,(H,24,27)(H,25,28)InChIKey
IHXJILFIUIIMRT-UHFFFAOYSA-NSynonyms
1435999-80-61435999806
4(2(2phenylethoxy)phenyl)1propan2yl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(2(2phenylethoxy)phenyl)1(propan2yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3OCCC4=CC=CC=C4)C(=O)N1
InChI=1SC23H25N3O3Sc115(2)262220(23(28)2526)21(301419(27)2422)1710671118(17)291312168435916h3111521H1214H212H3(H2427)(H2528)
MFCD28025506
OC1=Nc2c(C(SC1)c1ccccc1OCCc1ccccc1)c(=O)(nH)n2C(C)C
ZINC000095473316
ZINC000095473317
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