Vitas-M small molecule compound
[6-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-dioxido-4H-1,4-benzothiazin-2-yl](pyrrolidin-1-yl)methanone
Catalog ID
STL097162
SMILES Clc1ccc2c(c1)N(C=C(S2(=O)=O)C(=O)N1CCCC1)c1ccc2c(c1)OCCO2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19ClN2O5S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S/c22-14-3-6-19-16(11-14)24(15-4-5-17-18(12-15)29-10-9-28-17)13-20(30(19,26)27)21(25)23-7-1-2-8-23/h3-6,11-13H,1-2,7-10H2InChIKey
PWEFDNMAMJADOB-UHFFFAOYSA-NSynonyms
1190007-12-5(6chloro4(23dihydro14benzodioxin6yl)11dioxido4H14benzothiazin2yl)(pyrrolidin1yl)methanone
(6chloro4(23dihydro14benzodioxin6yl)11dioxo1$l^(6)4benzothiazin2yl)pyrrolidin1ylmethanone
(6CHLORO4(23DIHYDROBENZO(B)(14)DIOXIN6YL)11DIOXIDO4HBENZO(B)(14)THIAZIN2YL)(PYRROLIDIN1YL)METHANONE
1190007125
C1CCN(C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=CC(=C3)Cl)C4=CC5=C(C=C4)OCCO5
InChI=1SC21H19ClN2O5Sc2214361916(1114)24(15451718(1215)291092817)1320(30(1926)27)21(25)23712823h361113H12710H2
MFCD18788945
ZINC000035527525
ZINC35527525
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