Vitas-M small molecule compound

methyl 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate

Catalog ID
STK767026
SMILES COC(=O)c1sc2c(c1n1cccc1)c(SCC(C)C)cc(c2)[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 C18H18N2O4S2 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S2/c1-11(2)10-25-13-8-12(20(22)23)9-14-15(13)16(19-6-4-5-7-19)17(26-14)18(21)24-3/h4-9,11H,10H2,1-3H3
InChIKey
IRMAWXYCCJBUPR-UHFFFAOYSA-N
Synonyms

CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N3C=CC=C3)(N+)(=O)(O)
COC(=O)c1sc2c(c1n1cccc1)c(SCC(C)C)cc(c2)(N+)(=O)(O)
InChI=1SC18H18N2O4S2c111(2)102513812(20(22)23)91415(13)16(19645719)17(2614)18(21)243h4911H10H213H3
methyl4((2methylpropyl)sulfanyl)6nitro3(1Hpyrrol1yl)1benzothiophene2carboxylate
METHYL4(2METHYLPROPYLSULFANYL)6NITRO3PYRROL1YL1BENZOTHIOPHENE2CARBOXYLATE
METHYL4(2METHYLPROPYLTHIO)6NITRO3PYRROLYLBENZO(B)THIOPHENE2CARBOXYLATE
MFCD03036546
ZINC000001446411
ZINC01446411
ZINC1446411

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Available files

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