Vitas-M small molecule compound
ethyl 4-({4-[2-(cyclohex-1-en-1-yl)ethyl]-5,7,8-trifluoro-1,1-dioxido-3,4-dihydro-2H-1,4-benzothiazin-6-yl}carbonyl)piperazine-1-carboxylate
Catalog ID
STK637438
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1c(F)c(F)c2c(c1F)N(CCC1=CCCCC1)CCS2(=O)=O
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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 C24H30F3N3O5S MW 529.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30F3N3O5S/c1-2-35-24(32)30-12-10-29(11-13-30)23(31)17-18(25)20(27)22-21(19(17)26)28(14-15-36(22,33)34)9-8-16-6-4-3-5-7-16/h6H,2-5,7-15H2,1H3InChIKey
NVNNRQCYZJANEY-UHFFFAOYSA-NSynonyms
1010917-13-11010917131
CCOC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(C(=C2F)F)S(=O)(=O)CCN3CCC4=CCCCC4)F
ethyl4((4(2(cyclohex1en1yl)ethyl)578trifluoro11dioxido34dihydro2H14benzothiazin6yl)carbonyl)piperazine1carboxylate
ethyl4(4(2(cyclohex1en1yl)ethyl)578trifluoro11dioxido34dihydro2Hbenzo(b)(14)thiazine6carbonyl)piperazine1carboxylate
ethyl4(4(2(cyclohexen1yl)ethyl)578trifluoro11dioxo23dihydro1$l^(6)4benzothiazine6carbonyl)piperazine1carboxylate
InChI=1SC24H30F3N3O5Sc123524(32)30121029(111330)23(31)1718(25)20(27)2221(19(17)26)28(141536(2233)34)98166435716h6H25715H21H3
MFCD12199253
ZINC000012321447
ZINC12321447
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