Vitas-M small molecule compound
4-(2-chloro-5-nitrophenyl)-7-hydroxy-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL409525
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1cc(ccc1Cl)[N+](=O)[O-])C1CCSCC1
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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 C17H17ClN4O4S2 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O4S2/c18-12-2-1-10(22(25)26)7-11(12)15-14-16(19-13(23)8-28-15)21(20-17(14)24)9-3-5-27-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,19,23)(H,20,24)InChIKey
IMXPOVYXPKIUQC-UHFFFAOYSA-NSynonyms
1574318-46-91574318469
4(2chloro5nitrophenyl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(2chloro5nitrophenyl)7hydroxy1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)N2
InChI=1SC17H17ClN4O4S2c18122110(22(25)26)711(12)151416(1913(23)82815)21(2017(14)24)93527649h127915H368H2(H1923)(H2024)
MFCD30705759
OC1=Nc2n((nH)c(=O)c2C(SC1)c1cc(ccc1Cl)(N+)(=O)(O))C1CCSCC1
ZINC000096117873
ZINC000096117874
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