Vitas-M small molecule compound
4-(3-chloro-4-hydroxyphenyl)-1-cyclopentyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL320680
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)[nH]n2C1CCCC1
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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 C17H18ClN3O3S MW 379.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClN3O3S/c18-11-7-9(5-6-12(11)22)15-14-16(19-13(23)8-25-15)21(20-17(14)24)10-3-1-2-4-10/h5-7,10,15,22H,1-4,8H2,(H,19,23)(H,20,24)InChIKey
QIAJHRGAEQGKBO-UHFFFAOYSA-NSynonyms
1435908-12-51435908125
4(3chloro4hydroxyphenyl)1cyclopentyl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3chloro4hydroxyphenyl)1cyclopentyl7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)O)Cl)C(=O)N2
InChI=1SC17H18ClN3O3Sc181179(5612(11)22)151416(1913(23)82515)21(2017(14)24)10312410h57101522H148H2(H1923)(H2024)
MFCD28029631
OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)(nH)n2C1CCCC1
ZINC000095480979
ZINC000095480980
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