Vitas-M small molecule compound

2-methoxy-5-(pyrrolidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate

Catalog ID
STK097556
SMILES COc1ccc(cc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCCC1

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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 C19H18N2O5S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S/c1-25-16-8-7-13(18(27)20-9-2-3-10-20)12-17(16)26-19(22)14-5-4-6-15(11-14)21(23)24/h4-8,11-12H,2-3,9-10H2,1H3
InChIKey
MMDWOVYGAOXBCE-UHFFFAOYSA-N
Synonyms

(2METHOXY5(PYRROLIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
2METHOXY5(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL3NITROBENZOATE
2METHOXY5(PYRROLIDIN1YLCARBOTHIOYL)PHENYL3NITROBENZOATE
COC1=C(C=C(C=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1OC(=O)c1cccc(c1)(N+)(=O)(O))C(=S)N1CCCC1
InChI=1SC19H18N2O5Sc125168713(18(27)209231020)1217(16)2619(22)1454615(1114)21(23)24h481112H23910H21H3
MFCD03707583
STK097556
ZINC000001156791
ZINC01156791
ZINC1156791

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Available files

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