Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitrophenyl)thiourea
Catalog ID
STK455484
SMILES COc1cc(ccc1NC(=S)Nc1ccc2c(c1)OCO2)[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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-21-13-7-10(18(19)20)3-4-11(13)17-15(24)16-9-2-5-12-14(6-9)23-8-22-12/h2-7H,8H2,1H3,(H2,16,17,24)InChIKey
PNQPFKIOLQRZPF-UHFFFAOYSA-NSynonyms
(2HBENZO(34D)13DIOXOLAN5YLAMINO)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
1(13benzodioxol5yl)3(2methoxy4nitrophenyl)thiourea
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC2=CC3=C(C=C2)OCO3
COc1cc(ccc1NC(=S)Nc1ccc2c(c1)OCO2)(N+)(=O)(O)
InChI=1SC15H13N3O5Sc12113710(18(19)20)3411(13)1715(24)169251214(69)2382212h27H8H21H3(H2161724)
MFCD04228490
ZINC000005041310
ZINC05041310
ZINC5041310
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