Vitas-M small molecule compound
(E)-N~2~-({1-[(4-fluorophenyl)sulfonyl]piperidin-3-yl}carbonyl)-N-(4-methyl-1,3-thiazol-2(3H)-ylidene)isoleucinamide
Catalog ID
STK629376
SMILES CCC(C(C(=O)/N=c\1/scc([nH]1)C)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)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 C22H29FN4O4S2 MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29FN4O4S2/c1-4-14(2)19(21(29)26-22-24-15(3)13-32-22)25-20(28)16-6-5-11-27(12-16)33(30,31)18-9-7-17(23)8-10-18/h7-10,13-14,16,19H,4-6,11-12H2,1-3H3,(H,25,28)(H,24,26,29)InChIKey
DIAKWRLKJIMKDM-UHFFFAOYSA-NSynonyms
(E)N~2~((1((4fluorophenyl)sulfonyl)piperidin3yl)carbonyl)N(4methyl13thiazol2(3H)ylidene)isoleucinamide
(E)N2((1((4FLUOROPHENYL)SULFONYL)PIPERIDIN3YL)CARBONYL)N(4METHYL13THIAZOL2(3H)YLIDENE)ISOLEUCINAMIDE
1(4fluorophenyl)sulfonylN(3methyl1((4methyl13thiazol2yl)amino)1oxopentan2yl)piperidine3carboxamide
CCC(C(C(=O)N=c1scc((nH)1)C)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C
InChI=1SC22H29FN4O4S2c1414(2)19(21(29)26222415(3)133222)2520(28)16651127(1216)33(3031)189717(23)81018h71013141619H461112H213H3(H2528)(H242629)
MFCD09796806
ZINC000013629561
ZINC000245255000
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