Vitas-M small molecule compound
methyl 2-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK306560
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1n[nH]cc1[N+](=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 C14H14N4O5S MW 350.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O5S/c1-23-14(20)10-7-4-2-3-5-9(7)24-13(10)16-12(19)11-8(18(21)22)6-15-17-11/h6H,2-5H2,1H3,(H,15,17)(H,16,19)InChIKey
YMHRQCRWXHSTLI-UHFFFAOYSA-NSynonyms
1005590-40-81005590408
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3)(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCC2)NC(=O)c1n(nH)cc1(N+)(=O)(O)
InChI=1SC14H14N4O5Sc12314(20)10742359(7)2413(10)1612(19)118(18(21)22)6151711h6H25H21H3(H1517)(H1619)
methyl2(((4nitro1Hpyrazol3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4nitro1Hpyrazole5carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04130001
ZINC000006265871
ZINC06265871
ZINC6265871
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