Vitas-M small molecule compound
4-[4-(benzyloxy)phenyl]-1-cycloheptyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL043367
SMILES OC1=Nc2c(C(SC1)c1ccc(cc1)OCc1ccccc1)c(=O)[nH]n2C1CCCCCC1
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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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c30-22-17-33-24(19-12-14-21(15-13-19)32-16-18-8-4-3-5-9-18)23-25(27-22)29(28-26(23)31)20-10-6-1-2-7-11-20/h3-5,8-9,12-15,20,24H,1-2,6-7,10-11,16-17H2,(H,27,30)(H,28,31)InChIKey
NFIHIMABMORZEP-UHFFFAOYSA-NSynonyms
672323-90-91CYCLOHEPTYL4(4PHENYLMETHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4(benzyloxy)phenyl)1cycloheptyl7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
672323909
C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2
InChI=1SC26H29N3O3Sc3022173324(19121421(151319)3216188435918)2325(2722)29(2826(23)31)201061271120h358912152024H126710111617H2(H2730)(H2831)
MFCD04074059
OC1=Nc2c(C(SC1)c1ccc(cc1)OCc1ccccc1)c(=O)(nH)n2C1CCCCCC1
ZINC000003017836
ZINC000003017838
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