Vitas-M small molecule compound
3-({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]ethyl}carbamoyl)pyrazine-2-carboxylic acid
Catalog ID
STL248161
SMILES O=C(c1nc2c(s1)cccc2)NCCNC(=O)c1nccnc1C(=O)O
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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 C16H13N5O4S MW 371.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O4S/c22-13(11-12(16(24)25)18-6-5-17-11)19-7-8-20-14(23)15-21-9-3-1-2-4-10(9)26-15/h1-6H,7-8H2,(H,19,22)(H,20,23)(H,24,25)InChIKey
RLCBEBMVAQGYKB-UHFFFAOYSA-NSynonyms
1374535-07-51374535075
3((2((13benzothiazol2ylcarbonyl)amino)ethyl)carbamoyl)pyrazine2carboxylicacid
3((2(benzo(d)thiazole2carboxamido)ethyl)carbamoyl)pyrazine2carboxylicacid
3(2(13benzothiazole2carbonylamino)ethylcarbamoyl)pyrazine2carboxylicacid
C1=CC=C2C(=C1)N=C(S2)C(=O)NCCNC(=O)C3=NC=CN=C3C(=O)O
InChI=1SC16H13N5O4Sc2213(1112(16(24)25)18651711)19782014(23)15219312410(9)2615h16H78H2(H1922)(H2023)(H2425)
MFCD22203286
ZINC000072404801
ZINC72404801
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