Vitas-M small molecule compound
1-cyclopentyl-4-(2,4-dimethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL315471
SMILES COc1cc(OC)ccc1C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O
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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 C19H23N3O4S MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O4S/c1-25-12-7-8-13(14(9-12)26-2)17-16-18(20-15(23)10-27-17)22(21-19(16)24)11-5-3-4-6-11/h7-9,11,17H,3-6,10H2,1-2H3,(H,20,23)(H,21,24)InChIKey
BPSCGQBDYSPNIO-UHFFFAOYSA-NSynonyms
1435999-65-71435999657
1cyclopentyl4(24dimethoxyphenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl4(24dimethoxyphenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
COC1=CC(=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4)OC
COc1cc(OC)ccc1C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC19H23N3O4Sc125127813(14(912)262)171618(2015(23)102717)22(2119(16)24)11534611h791117H3610H212H3(H2023)(H2124)
MFCD28027275
ZINC000095477080
ZINC000095477081
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