Vitas-M small molecule compound
N-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}-D-isoleucine
Catalog ID
STK632735
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)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 C18H19N3O3S MW 357.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S/c1-3-11(2)15(17(23)24)20-16(22)12-6-7-13-14(10-12)25-18(19-13)21-8-4-5-9-21/h4-11,15H,3H2,1-2H3,(H,20,22)(H,23,24)/t11-,15+/m0/s1InChIKey
FDTBTRVZDPUVFT-XHDPSFHLSA-NSynonyms
1013747-53-9(2R3S)2(2(1Hpyrrol1yl)benzo(d)thiazole6carboxamido)3methylpentanoicacid
(2R3S)3methyl2((2pyrrol1yl13benzothiazole6carbonyl)amino)pentanoicacid
1013747539
CC(C@@H)((C@H)(C(=O)O)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)C
CCC(C)C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3
InChI=1SC18H19N3O3Sc1311(2)15(17(23)24)2016(22)12671314(1012)2518(1913)21845921h41115H3H212H3(H2022)(H2324)t1115+m0s1
MFCD18246552
N((2(1Hpyrrol1yl)13benzothiazol6yl)carbonyl)Disoleucine
ZINC000011865966
ZINC11865966
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