Vitas-M small molecule compound

methyl 2-{[(4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK306556
SMILES COC(=O)c1c(sc2c1CCCCCC2)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 C16H18N4O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5S/c1-25-16(22)12-9-6-4-2-3-5-7-11(9)26-15(12)18-14(21)13-10(20(23)24)8-17-19-13/h8H,2-7H2,1H3,(H,17,19)(H,18,21)
InChIKey
DUTCCUMVBWHGMN-UHFFFAOYSA-N
Synonyms
1005564-13-5
1005564135
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=C(C=NN3)(N+)(=O)(O)
COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1n(nH)cc1(N+)(=O)(O)
InChI=1SC16H18N4O5Sc12516(22)12964235711(9)2615(12)1814(21)1310(20(23)24)8171913h8H27H21H3(H1719)(H1821)
methyl2(((4nitro1Hpyrazol3yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((4nitro1Hpyrazole5carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD04129995
ZINC000006265873
ZINC06265873
ZINC6265873

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Available files

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