Vitas-M small molecule compound
N-{(2S)-3-methyl-1-oxo-1-[(thiophen-2-ylmethyl)amino]butan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Catalog ID
STK642723
SMILES O=C(c1ccc2c(c1)sc(n2)n1cccc1)N[C@H](C(=O)NCc1cccs1)C(C)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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c1-14(2)19(21(28)23-13-16-6-5-11-29-16)25-20(27)15-7-8-17-18(12-15)30-22(24-17)26-9-3-4-10-26/h3-12,14,19H,13H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1InChIKey
ZSPWUKNRRJFFJA-IBGZPJMESA-NSynonyms
1177099-25-0(S)N(3methyl1oxo1((thiophen2ylmethyl)amino)butan2yl)2(1Hpyrrol1yl)benzo(d)thiazole6carboxamide
1177099250
CC(C)C(C(=O)NCC1=CC=CS1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4
InChI=1SC22H22N4O2S2c114(2)19(21(28)23131665112916)2520(27)15781718(1215)3022(2417)269341026h3121419H13H212H3(H2328)(H2527)t19m0s1
MFCD18163069
N((2S)3methyl1oxo1((thiophen2ylmethyl)amino)butan2yl)2(1Hpyrrol1yl)13benzothiazole6carboxamide
N((2S)3methyl1oxo1(thiophen2ylmethylamino)butan2yl)2pyrrol1yl13benzothiazole6carboxamide
O=C(c1ccc2c(c1)sc(n2)n1cccc1)N(C@H)(C(=O)NCc1cccs1)C(C)C
ZINC000012389728
ZINC12389728
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