Vitas-M small molecule compound
methyl 3-({[5,5-dioxido-9-(propan-2-yl)-6H-dibenzo[c,e][1,2]thiazin-6-yl]acetyl}amino)-4-methylbenzoate
Catalog ID
STL138237
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN1c2ccc(cc2c2c(S1(=O)=O)cccc2)C(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 C26H26N2O5S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S/c1-16(2)18-11-12-23-21(13-18)20-7-5-6-8-24(20)34(31,32)28(23)15-25(29)27-22-14-19(26(30)33-4)10-9-17(22)3/h5-14,16H,15H2,1-4H3,(H,27,29)InChIKey
AFOJWQKTSWIXRP-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C3=C(C=C(C=C3)C(C)C)C4=CC=CC=C4S2(=O)=O
InChI=1SC26H26N2O5Sc116(2)1811122321(1318)20756824(20)34(3132)28(23)1525(29)27221419(26(30)334)10917(22)3h51416H15H214H3(H2729)
methyl3(((55dioxido9(propan2yl)6Hdibenzo(ce)(12)thiazin6yl)acetyl)amino)4methylbenzoate
methyl3((2(55dioxo9propan2ylbenzo(c)(12)benzothiazin6yl)acetyl)amino)4methylbenzoate
MFCD09219323
ZINC000009250449
ZINC9250449
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