Vitas-M small molecule compound
ethyl 3-{[3-chloro-2-(methoxycarbonyl)-1-benzothiophen-6-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate
Catalog ID
STK307730
SMILES CCOC(=O)c1cc(nn1C)C(=O)Nc1ccc2c(c1)sc(c2Cl)C(=O)OC
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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 C18H16ClN3O5S MW 421.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O5S/c1-4-27-17(24)12-8-11(21-22(12)2)16(23)20-9-5-6-10-13(7-9)28-15(14(10)19)18(25)26-3/h5-8H,4H2,1-3H3,(H,20,23)InChIKey
XVZRXFLDBCIJJI-UHFFFAOYSA-NSynonyms
1005583-75-41005583754
CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl
ethyl3((3chloro2(methoxycarbonyl)1benzothiophen6yl)carbamoyl)1methyl1Hpyrazole5carboxylate
ethyl5((3chloro2methoxycarbonyl1benzothiophen6yl)carbamoyl)2methylpyrazole3carboxylate
InChI=1SC18H16ClN3O5Sc142717(24)12811(2122(12)2)16(23)209561013(79)2815(14(10)19)18(25)263h58H4H213H3(H2023)
MFCD04131145
ZINC000002794315
ZINC02794315
ZINC2794315
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