Vitas-M small molecule compound
N-[2-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-(pyrrolidin-1-ylcarbonyl)benzamide
Catalog ID
STL054043
SMILES CCc1cccc(c1NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1C(=O)N1CCCC1)CC
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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 C31H32N4O3S2 MW 572.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O3S2/c1-3-20-10-9-11-21(4-2)28(20)34-27(36)19-39-31-33-25-15-14-22(18-26(25)40-31)32-29(37)23-12-5-6-13-24(23)30(38)35-16-7-8-17-35/h5-6,9-15,18H,3-4,7-8,16-17,19H2,1-2H3,(H,32,37)(H,34,36)InChIKey
OSWLIHZWCJWENE-UHFFFAOYSA-NSynonyms
CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5
InChI=1SC31H32N4O3S2c13201091121(42)28(20)3427(36)1939313325151422(1826(25)4031)3229(37)2312561324(23)30(38)3516781735h5691518H3478161719H212H3(H3237)(H3436)
MFCD01908455
N(2((2((26diethylphenyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)2(pyrrolidin1ylcarbonyl)benzamide
N(2((2((26diethylphenyl)amino)2oxoethyl)thio)benzo(d)thiazol6yl)2(pyrrolidine1carbonyl)benzamide
N(2(2(26DIETHYLANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2(PYRROLIDINE1CARBONYL)BENZAMIDE
ZINC000103124194
ZINC103124194
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