Vitas-M small molecule compound
methyl 2-chloro-5-({[5,5-dioxido-9-(propan-2-yl)-6H-dibenzo[c,e][1,2]thiazin-6-yl]acetyl}amino)benzoate
Catalog ID
STL138239
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN1c2ccc(cc2c2c(S1(=O)=O)cccc2)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 C25H23ClN2O5S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O5S/c1-15(2)16-8-11-22-19(12-16)18-6-4-5-7-23(18)34(31,32)28(22)14-24(29)27-17-9-10-21(26)20(13-17)25(30)33-3/h4-13,15H,14H2,1-3H3,(H,27,29)InChIKey
RZKIVGCRULSLME-UHFFFAOYSA-NSynonyms
CC(C)C1=CC2=C(C=C1)N(S(=O)(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)OC
InChI=1SC25H23ClN2O5Sc115(2)168112219(1216)18645723(18)34(3132)28(22)1424(29)271791021(26)20(1317)25(30)333h41315H14H213H3(H2729)
methyl2chloro5(((55dioxido9(propan2yl)6Hdibenzo(ce)(12)thiazin6yl)acetyl)amino)benzoate
methyl2chloro5((2(55dioxo9propan2ylbenzo(c)(12)benzothiazin6yl)acetyl)amino)benzoate
MFCD09219325
ZINC000009250463
ZINC9250463
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