Vitas-M small molecule compound
methyl 4-(1-cyclohexyl-6-methyl-3-oxo-1,2,3,4-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)benzoate
Catalog ID
STL434191
SMILES COC(=O)c1ccc(cc1)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-12-21-18-16(19(24)22-23(18)15-6-4-3-5-7-15)17(27-12)13-8-10-14(11-9-13)20(25)26-2/h8-11,15,17H,3-7H2,1-2H3,(H,22,24)InChIKey
XDSROEUGFUCECV-UHFFFAOYSA-NSynonyms
CC1=NC2=C(C(S1)C3=CC=C(C=C3)C(=O)OC)C(=O)NN2C4CCCCC4
COC(=O)c1ccc(cc1)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCC1)C
InChI=1SC20H23N3O3Sc112211816(19(24)2223(18)156435715)17(2712)1381014(11913)20(25)262h8111517H37H212H3(H2224)
methyl4(1cyclohexyl6methyl3oxo1234tetrahydropyrazolo(34d)(13)thiazin4yl)benzoate
methyl4(1cyclohexyl6methyl3oxo24dihydropyrazolo(34d)(13)thiazin4yl)benzoate
MFCD26098634
ZINC000085411946
ZINC000085411950
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