Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}pyrazine-2-carboxylic acid
Catalog ID
STL154341
SMILES COC(=O)c1c(NC(=O)c2nccnc2C(=O)O)sc2c1CCCCC2
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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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-25-17(24)11-9-5-3-2-4-6-10(9)26-15(11)20-14(21)12-13(16(22)23)19-8-7-18-12/h7-8H,2-6H2,1H3,(H,20,21)(H,22,23)InChIKey
NPEGWAVRLAWSLJ-UHFFFAOYSA-NSynonyms
1269460-12-91269460129
3((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)pyrazine2carboxylicacid
3((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)pyrazine2carboxylicacid
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NC=CN=C3C(=O)O
InChI=1SC17H17N3O5Sc12517(24)1195324610(9)2615(11)2014(21)1213(16(22)23)19871812h78H26H21H3(H2021)(H2223)
MFCD18454987
ZINC000061721338
ZINC61721338
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