Vitas-M small molecule compound
(2E)-2-{[(4-fluorophenyl)sulfonyl]imino}-N-(1-hydroxy-3-methylpentan-2-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Catalog ID
STK643570
SMILES OCC(C(CC)C)NC(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccc(cc1)F)/[nH]2
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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 C20H22FN3O4S2 MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O4S2/c1-3-12(2)17(11-25)22-19(26)13-4-9-16-18(10-13)29-20(23-16)24-30(27,28)15-7-5-14(21)6-8-15/h4-10,12,17,25H,3,11H2,1-2H3,(H,22,26)(H,23,24)InChIKey
XFOSPLNUXDMUSD-UHFFFAOYSA-NSynonyms
(2E)2(((4fluorophenyl)sulfonyl)imino)N(1hydroxy3methylpentan2yl)23dihydro13benzothiazole6carboxamide
2((4fluorophenyl)sulfonylamino)N(1hydroxy3methylpentan2yl)13benzothiazole6carboxamide
CCC(C)C(CO)NC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)F
InChI=1SC20H22FN3O4S2c1312(2)17(1125)2219(26)13491618(1013)2920(2316)2430(2728)157514(21)6815h410121725H311H212H3(H2226)(H2324)
MFCD18163354
OCC(C(CC)C)NC(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccc(cc1)F)(nH)2
ZINC000013721335
ZINC000036584809
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