Vitas-M small molecule compound
4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434237
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)C1SC(=Nc2c1c(=O)[nH]n2C(C)C)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 C23H24ClN3O3S MW 457.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O3S/c1-13(2)27-22-20(23(28)26-27)21(31-14(3)25-22)16-7-10-18(19(11-16)29-4)30-12-15-5-8-17(24)9-6-15/h5-11,13,21H,12H2,1-4H3,(H,26,28)InChIKey
AGXGTHZSBXDUAD-UHFFFAOYSA-NSynonyms
4(4((4chlorobenzyl)oxy)3methoxyphenyl)6methyl1(propan2yl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
4(4((4chlorophenyl)methoxy)3methoxyphenyl)6methyl1propan2yl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC)C(=O)NN2C(C)C
COc1cc(ccc1OCc1ccc(cc1)Cl)C1SC(=Nc2c1c(=O)(nH)n2C(C)C)C
InChI=1SC23H24ClN3O3Sc113(2)272220(23(28)2627)21(3114(3)2522)1671018(19(1116)294)3012155817(24)9615h5111321H12H214H3(H2628)
MFCD26098661
ZINC000085412222
ZINC000085412224
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