Vitas-M small molecule compound
{6-methyl-4-[3-(methylsulfanyl)phenyl]-1,1-dioxido-4H-1,4-benzothiazin-2-yl}(pyrrolidin-1-yl)methanone
Catalog ID
STL097160
SMILES CSc1cccc(c1)N1C=C(C(=O)N2CCCC2)S(=O)(=O)c2c1cc(C)cc2
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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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-15-8-9-19-18(12-15)23(16-6-5-7-17(13-16)27-2)14-20(28(19,25)26)21(24)22-10-3-4-11-22/h5-9,12-14H,3-4,10-11H2,1-2H3InChIKey
NAQUHUDERQHPHU-UHFFFAOYSA-NSynonyms
(6methyl4(3(methylsulfanyl)phenyl)11dioxido4H14benzothiazin2yl)(pyrrolidin1yl)methanone
(6methyl4(3methylsulfanylphenyl)11dioxo1$l^(6)4benzothiazin2yl)pyrrolidin1ylmethanone
CC1=CC2=C(C=C1)S(=O)(=O)C(=CN2C3=CC(=CC=C3)SC)C(=O)N4CCCC4
InChI=1SC21H22N2O3S2c115891918(1215)23(1665717(1316)272)1420(28(1925)26)21(24)2210341122h591214H341011H212H3
MFCD18788944
ZINC000067245526
ZINC67245526
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