Vitas-M small molecule compound
ethyl 4-{[5,7,8-trifluoro-1,1-dioxido-4-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazin-6-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STK636519
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCS2(=O)=O)Cc1cccnc1
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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 C22H23F3N4O5S MW 512.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N4O5S/c1-2-34-22(31)28-8-6-27(7-9-28)21(30)15-16(23)18(25)20-19(17(15)24)29(10-11-35(20,32)33)13-14-4-3-5-26-12-14/h3-5,12H,2,6-11,13H2,1H3InChIKey
WEYHNVDPSXIRPW-UHFFFAOYSA-NSynonyms
1010925-63-91010925639
CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(C(=C2F)F)S(=O)(=O)CCN3CC4=CN=CC=C4)F
ethyl4((578trifluoro11dioxido4(pyridin3ylmethyl)34dihydro2H14benzothiazin6yl)carbonyl)piperazine1carboxylate
ethyl4(578trifluoro11dioxido4(pyridin3ylmethyl)34dihydro2Hbenzo(b)(14)thiazine6carbonyl)piperazine1carboxylate
ethyl4(578trifluoro11dioxo4(pyridin3ylmethyl)23dihydro1$l^(6)4benzothiazine6carbonyl)piperazine1carboxylate
InChI=1SC22H23F3N4O5Sc123422(31)288627(7928)21(30)1516(23)18(25)2019(17(15)24)29(101135(2032)33)1314435261214h3512H261113H21H3
MFCD12204741
ZINC000012325072
ZINC12325072
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